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

Systemtic Name: 3-methyl-8-[(2E)-2-(phenylmethylidene)hydrazinyl]-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[(2E)-2-benzylidenehydrazino]-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-[(2E)-2-(phenylmethylene)hydrazinyl]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-benzylidenehydrazinyl]-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[(N'E)-N'-benzalhydrazino]-3-methyl-xanthine Formula: C16H16N6O2 MolecularWeight: 324.33724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O2/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/h3-8,10H,1,9H2,2H3,(H,18,20)(H,19,23,24)/b17-10+