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

Systemtic Name: 3-methyl-8-[(2E)-2-(phenylmethylidene)hydrazinyl]-7-propyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-benzylidenehydrazino]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-[(2E)-2-(phenylmethylene)hydrazinyl]-7-propylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-benzylidenehydrazinyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-benzalhydrazino]-3-methyl-7-propyl-xanthine Formula: C16H18N6O2 MolecularWeight: 326.35312

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NN=CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N/N=C/C3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H18N6O2/c1-3-9-22-12-13(21(2)16(24)19-14(12)23)18-15(22)20-17-10-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,18,20)(H,19,23,24)/b17-10+