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

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-[(2E)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2E)-2-benzylidenehydrazino]-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-[(2E)-2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 8-[(2E)-2-benzylidenehydrazinyl]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[(N'E)-N'-benzalhydrazino]-3-methyl-7-(3-methylbenzyl)xanthine Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O2/c1-14-7-6-10-16(11-14)13-27-17-18(26(2)21(29)24-19(17)28)23-20(27)25-22-12-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,23,25)(H,24,28,29)/b22-12+