1-methyl-5-(2-methylpropyl)-8-phenyl-purino[8,9-c][1,2,4]triazole-2,4-dione

Systemtic Name: 1-methyl-5-(2-methylpropyl)-8-phenyl-purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 5-isobutyl-1-methyl-8-phenyl-purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 1-methyl-5-(2-methylpropyl)-8-phenylpurino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 1-methyl-5-(2-methylpropyl)-8-phenylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 5-isobutyl-1-methyl-8-phenyl-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:

CC(C)CN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=CC=CC=C4

InChI

InChI=1S/C17H18N6O2/c1-10(2)9-22-12-14(24)18-17(25)21(3)15(12)23-13(19-20-16(22)23)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,18,24,25)