1-methyl-8-(4-methylphenyl)-5-propan-2-yl-purino[8,9-c][1,2,4]triazole-2,4-dione

Systemtic Name: 1-methyl-8-(4-methylphenyl)-5-propan-2-yl-purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 5-isopropyl-1-methyl-8-(p-tolyl)purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 1-methyl-8-(4-methylphenyl)-5-propan-2-ylpurino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 1-methyl-8-(4-methylphenyl)-5-propan-2-ylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 5-isopropyl-1-methyl-8-(p-tolyl)purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C3N2C4=C(N3C(C)C)C(=O)NC(=O)N4C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C3N2C4=C(N3C(C)C)C(=O)NC(=O)N4C

InChI

InChI=1S/C17H18N6O2/c1-9(2)22-12-14(24)18-17(25)21(4)15(12)23-13(19-20-16(22)23)11-7-5-10(3)6-8-11/h5-9H,1-4H3,(H,18,24,25)