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

Systemtic Name: 7-[(E)-but-2-enyl]-3-methyl-8-[(2E)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2E)-2-benzylidenehydrazino]-7-[(E)-but-2-enyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-3-methyl-8-[(2E)-2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 8-[(2E)-2-benzylidenehydrazinyl]-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-benzalhydrazino]-7-[(E)-but-2-enyl]-3-methyl-xanthine Formula: C17H18N6O2 MolecularWeight: 338.36382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(N=C1NN=CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

C/C=C/CN1C2=C(N=C1N/N=C/C3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H18N6O2/c1-3-4-10-23-13-14(22(2)17(25)20-15(13)24)19-16(23)21-18-11-12-8-6-5-7-9-12/h3-9,11H,10H2,1-2H3,(H,19,21)(H,20,24,25)/b4-3+,18-11+