5,7-dimethyl-3-phenyl-1-thiophen-2-ylcarbonyl-purino[8,7-c][1,2,4]triazole-6,8-dione

Systemtic Name: 5,7-dimethyl-3-phenyl-1-thiophen-2-ylcarbonyl-purino[8,7-c][1,2,4]triazole-6,8-dione Openeye Name: 5,7-dimethyl-3-phenyl-1-(thiophene-2-carbonyl)purino[8,7-c][1,2,4]triazole-6,8-dione CAS Name: 5,7-dimethyl-1-[oxo(thiophen-2-yl)methyl]-3-phenylpurino[8,7-c][1,2,4]triazole-6,8-dione IUPAC Name: 5,7-dimethyl-3-phenyl-1-(thiophene-2-carbonyl)purino[8,7-c][1,2,4]triazole-6,8-dione Traditional Name: 5,7-dimethyl-3-phenyl-1-(2-thenoyl)purino[8,7-c][1,2,4]triazole-6,8-quinone Formula: C19H14N6O3S MolecularWeight: 406.41786

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C(=NN(C3=N2)C4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C(=NN(C3=N2)C4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C19H14N6O3S/c1-22-15-13(17(27)23(2)19(22)28)24-16(14(26)12-9-6-10-29-12)21-25(18(24)20-15)11-7-4-3-5-8-11/h3-10H,1-2H3