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

Systemtic Name: 3-methyl-7-(2-methylpropyl)-8-[(2E)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2E)-2-benzylidenehydrazino]-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-8-[(2E)-2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 8-[(2E)-2-benzylidenehydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-[(N'E)-N'-benzalhydrazino]-7-isobutyl-3-methyl-xanthine Formula: C17H20N6O2 MolecularWeight: 340.3797

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NN=CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1N/N=C/C3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H20N6O2/c1-11(2)10-23-13-14(22(3)17(25)20-15(13)24)19-16(23)21-18-9-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,19,21)(H,20,24,25)/b18-9+