3-methyl-1,7-bis(phenylmethyl)-8-[(2E)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-1,7-bis(phenylmethyl)-8-[(2E)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 1,7-dibenzyl-8-[(2E)-2-benzylidenehydrazino]-3-methyl-purine-2,6-dione CAS Name: 3-methyl-1,7-bis(phenylmethyl)-8-[(2E)-2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 1,7-dibenzyl-8-[(2E)-2-benzylidenehydrazinyl]-3-methylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-benzalhydrazino]-1,7-dibenzyl-3-methyl-xanthine Formula: C27H24N6O2 MolecularWeight: 464.51846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NN=CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)N/N=C/C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H24N6O2/c1-31-24-23(25(34)33(27(31)35)19-22-15-9-4-10-16-22)32(18-21-13-7-3-8-14-21)26(29-24)30-28-17-20-11-5-2-6-12-20/h2-17H,18-19H2,1H3,(H,29,30)/b28-17+