9-methyl-1-phenyl-3-thiophen-2-yl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione

Systemtic Name: 9-methyl-1-phenyl-3-thiophen-2-yl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Openeye Name: 9-methyl-1-phenyl-3-(2-thienyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione CAS Name: 9-methyl-1-phenyl-3-thiophen-2-yl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione IUPAC Name: 9-methyl-1-phenyl-3-thiophen-2-yl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Traditional Name: 9-methyl-1-phenyl-3-(2-thienyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-quinone Formula: C18H14N6O2S MolecularWeight: 378.40776

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3CC(=NN(C3=N2)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3CC(=NN(C3=N2)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C18H14N6O2S/c1-22-15-14(16(25)20-18(22)26)23-10-12(13-8-5-9-27-13)21-24(17(23)19-15)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,20,25,26)