1,3-dimethyl-7-phenethyl-8-[(2E)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-phenethyl-8-[(2E)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2E)-2-benzylidenehydrazino]-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-phenethyl-8-[(2E)-2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 8-[(2E)-2-benzylidenehydrazinyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-benzalhydrazino]-1,3-dimethyl-7-phenethyl-xanthine Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

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