55281 -OEChem-10051722493D 34 35 0 1 0 0 0 0 0999 V2000 -1.7607 -0.4611 1.0243 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4271 -0.0813 -1.9329 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4221 0.7451 -0.1052 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1392 -3.2206 1.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 3.3134 0.4191 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9406 1.5183 0.0053 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0889 0.9910 0.2562 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8222 2.4050 0.2119 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2007 0.6705 -1.0052 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4357 -0.1296 -0.6480 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5019 0.7727 0.3417 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9494 -1.0582 0.4662 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5842 -2.4520 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7778 -0.0919 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4293 2.3070 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1092 0.0084 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7249 1.3601 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9228 -1.1497 -0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 -2.1279 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4470 -3.3192 -0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4045 1.6572 -1.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 -0.6678 -1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9564 1.5693 0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6763 -1.1365 1.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7701 -2.4229 -0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4514 -2.9481 -0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9467 -0.1576 -2.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0803 1.1411 0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3129 -1.0722 0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9161 -4.1049 0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 3.3426 0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6411 -3.7715 0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9584 -4.0687 -0.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4099 -3.0686 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 2 27 1 0 0 0 0 3 10 1 0 0 0 0 3 28 1 0 0 0 0 4 13 1 0 0 0 0 4 30 1 0 0 0 0 5 15 2 0 0 0 0 6 17 2 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 3 0 0 0 0 19 20 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 M END > DB12606 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QLOCVMVCRJOTTM-SDNRWEOFSA-N/SDF?record_type=3d > CC#CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)NC1=O > InChI=1S/C12H14N2O6/c1-2-3-6-4-14(12(19)13-10(6)18)11-9(17)8(16)7(5-15)20-11/h4,7-9,11,15-17H,5H2,1H3,(H,13,18,19)/t7-,8-,9+,11-/m1/s1 > QLOCVMVCRJOTTM-SDNRWEOFSA-N > C12H14N2O6 > 282.252 > 282.085186179 > 6 > 34 > 26.793234762199667 > 1 > 4 > 0 > 0 > 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(prop-1-yn-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione > -0.67 > -1.5458476576666662 > -2.15 > 0 > 2 > 0 > 12.619815547967931 > 9.436130595136284 > -2.9802996430844013 > 119.33000000000001 > 65.48610000000001 > 3 > 1 > 2.00e+00 g/l > 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(prop-1-yn-1-yl)-3H-pyrimidine-2,4-dione > 0 $$$$