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

Systemtic Name: 5-ethyl-1-methyl-8-(4-methylphenyl)purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 5-ethyl-1-methyl-8-(p-tolyl)purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 5-ethyl-1-methyl-8-(4-methylphenyl)purino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 5-ethyl-1-methyl-8-(4-methylphenyl)purino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 5-ethyl-1-methyl-8-(p-tolyl)purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C16H16N6O2 MolecularWeight: 324.33724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=CC=C(C=C4)C

InChI

InChI=1S/C16H16N6O2/c1-4-21-11-13(23)17-16(24)20(3)14(11)22-12(18-19-15(21)22)10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3,(H,17,23,24)