3-methyl-8-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-7-phenethyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-7-phenethyl-purine-2,6-dione Openeye Name: 3-methyl-7-phenethyl-8-[(2Z)-2-(p-tolylmethylene)hydrazino]purine-2,6-dione CAS Name: 3-methyl-8-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-7-phenethylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-7-phenethylpurine-2,6-dione Traditional Name: 3-methyl-8-[(N'Z)-N'-(4-methylbenzylidene)hydrazino]-7-phenethyl-xanthine Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=NNC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)/C=N\NC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C22H22N6O2/c1-15-8-10-17(11-9-15)14-23-26-21-24-19-18(20(29)25-22(30)27(19)2)28(21)13-12-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,24,26)(H,25,29,30)/b23-14-