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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-[(2E)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2E)-2-benzylidenehydrazino]-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-[(2E)-2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 8-[(2E)-2-benzylidenehydrazinyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[(N'E)-N'-benzalhydrazino]-7-isoamyl-3-methyl-xanthine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1NN=CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N/N=C/C3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H22N6O2/c1-12(2)9-10-24-14-15(23(3)18(26)21-16(14)25)20-17(24)22-19-11-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,25,26)/b19-11+