3-methyl-7-[(4-methylphenyl)methyl]-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazino]-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 3-methyl-7-(4-methylbenzyl)-8-[(N'E)-N'-(1-phenylethylidene)hydrazino]xanthine Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O2/c1-14-9-11-16(12-10-14)13-28-18-19(27(3)22(30)24-20(18)29)23-21(28)26-25-15(2)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,23,26)(H,24,29,30)/b25-15+