3-methyl-7-[(4-methylphenyl)methyl]-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 3-methyl-7-(p-tolylmethyl)-8-[(2E)-2-(3-pyridylmethylene)hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-[(2E)-2-(3-pyridinylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 3-methyl-7-(4-methylbenzyl)-8-[(N'E)-N'-(3-pyridylmethylene)hydrazino]xanthine Formula: C20H19N7O2 MolecularWeight: 389.41056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2NN=CC4=CN=CC=C4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2N/N=C/C4=CN=CC=C4)N(C(=O)NC3=O)C

InChI

InChI=1S/C20H19N7O2/c1-13-5-7-14(8-6-13)12-27-16-17(26(2)20(29)24-18(16)28)23-19(27)25-22-11-15-4-3-9-21-10-15/h3-11H,12H2,1-2H3,(H,23,25)(H,24,28,29)/b22-11+