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

Systemtic Name: 1,3-dimethyl-7-(2-methylpropyl)-8-[2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 8-(2-benzylidenehydrazino)-7-isobutyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylpropyl)-8-[2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 8-(2-benzylidenehydrazinyl)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(N'-benzalhydrazino)-7-isobutyl-1,3-dimethyl-xanthine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NN=CC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1NN=CC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H22N6O2/c1-12(2)11-24-14-15(22(3)18(26)23(4)16(14)25)20-17(24)21-19-10-13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3,(H,20,21)