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

Systemtic Name: 5-butyl-1-methyl-8-phenyl-purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 5-butyl-1-methyl-8-phenyl-purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 5-butyl-1-methyl-8-phenylpurino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 5-butyl-1-methyl-8-phenylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 5-butyl-1-methyl-8-phenyl-purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C17H18N6O2 MolecularWeight: 338.36382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=CC=CC=C4

InChI

InChI=1S/C17H18N6O2/c1-3-4-10-22-12-14(24)18-17(25)21(2)15(12)23-13(19-20-16(22)23)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,18,24,25)