10230 -OEChem-02012015023D 24 25 0 0 0 0 0 0 0999 V2000 0.6789 -1.8790 -0.0308 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -1.8790 0.0314 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7524 -0.7589 -0.1253 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7524 -0.7589 0.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4391 -1.9105 0.1683 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4391 -1.9105 -0.1688 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7008 0.5334 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7007 0.5333 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3398 -0.7013 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3397 -0.7013 0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 1.7544 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3949 1.7545 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6961 2.9619 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6962 2.9619 0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4796 1.8032 -0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4795 1.8032 0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2378 3.9031 -0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2379 3.9031 0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2165 -0.0844 -0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2168 -0.0843 0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 -1.6674 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4772 -2.4913 -0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4045 -1.6673 -0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4775 -2.4912 0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 M END > DB12945 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VQKLRVZQQYVIJW-UHFFFAOYSA-N/SDF?record_type=3d > NNC1=C2C=CC=CC2=C(NN)N=N1 > InChI=1S/C8H10N6/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7/h1-4H,9-10H2,(H,11,13)(H,12,14) > VQKLRVZQQYVIJW-UHFFFAOYSA-N > C8H10N6 > 190.21 > 190.096694346 > 6 > 24 > 0.9858159157338287 > 19.095745313864306 > 1 > 4 > 0 > 1 > 1,4-dihydrazinylphthalazine > 0.86 > 0.7374804733333333 > -2.28 > 0 > 1 > 2 > 1 > 7.84099045737161 > 101.88 > 60.25500000000001 > 2 > 1 > 9.96e-01 g/l > [(3aS,4R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-1H,3aH,4H,8H,9H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate > 0 $$$$