3-methyl-8-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-isobutyl-3-methyl-8-[(2E)-2-(p-tolylmethylene)hydrazino]purine-2,6-dione CAS Name: 3-methyl-8-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-isobutyl-3-methyl-8-[(N'E)-N'-(4-methylbenzylidene)hydrazino]xanthine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=NNC2=NC3=C(N2CC(C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)/C=N/NC2=NC3=C(N2CC(C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C18H22N6O2/c1-11(2)10-24-14-15(23(4)18(26)21-16(14)25)20-17(24)22-19-9-13-7-5-12(3)6-8-13/h5-9,11H,10H2,1-4H3,(H,20,22)(H,21,25,26)/b19-9+