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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H22N6O2/c1-27-19-18(20(29)25-22(27)30)28(14-8-13-16-9-4-2-5-10-16)21(24-19)26-23-15-17-11-6-3-7-12-17/h2-7,9-12,15H,8,13-14H2,1H3,(H,24,26)(H,25,29,30)/b23-15+