1,3,5-trimethyl-8-thiophen-2-yl-purino[8,9-c][1,2,4]triazole-2,4-dione

Systemtic Name: 1,3,5-trimethyl-8-thiophen-2-yl-purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 1,3,5-trimethyl-8-(2-thienyl)purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 1,3,5-trimethyl-8-thiophen-2-ylpurino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 1,3,5-trimethyl-8-thiophen-2-ylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 1,3,5-trimethyl-8-(2-thienyl)purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C13H12N6O2S MolecularWeight: 316.33838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N(C(=O)N(C2=O)C)C)N3C1=NN=C3C4=CC=CS4

Isomeric SMILES

CN1C2=C(N(C(=O)N(C2=O)C)C)N3C1=NN=C3C4=CC=CS4

InChI

InChI=1S/C13H12N6O2S/c1-16-8-10(17(2)13(21)18(3)11(8)20)19-9(14-15-12(16)19)7-5-4-6-22-7/h4-6H,1-3H3