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

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-[(2E)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-benzyl-8-[(2E)-2-benzylidenehydrazino]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-[(2E)-2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-benzyl-8-[(2E)-2-benzylidenehydrazinyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-benzalhydrazino]-7-benzyl-1,3-dimethyl-xanthine Formula: C21H20N6O2 MolecularWeight: 388.4225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N6O2/c1-25-18-17(19(28)26(2)21(25)29)27(14-16-11-7-4-8-12-16)20(23-18)24-22-13-15-9-5-3-6-10-15/h3-13H,14H2,1-2H3,(H,23,24)/b22-13+