8-[(2E)-2-butan-2-ylidenehydrazinyl]-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-butan-2-ylidenehydrazinyl]-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(2E)-2-(1-methylpropylidene)hydrazino]purine-2,6-dione CAS Name: 8-[(2E)-2-butan-2-ylidenehydrazinyl]-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-butan-2-ylidenehydrazinyl]-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-[(N'E)-N'-(1-methylpropylidene)hydrazino]xanthine Formula: C17H19ClN6O2 MolecularWeight: 374.82476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C)C

Isomeric SMILES

CC/C(=N/NC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C)/C

InChI

InChI=1S/C17H19ClN6O2/c1-4-10(2)21-22-16-19-14-13(15(25)20-17(26)23(14)3)24(16)9-11-7-5-6-8-12(11)18/h5-8H,4,9H2,1-3H3,(H,19,22)(H,20,25,26)/b21-10+