methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(2-methoxy-2-oxo-ethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-5-(2-methoxy-2-oxoethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-keto-5-(2-keto-2-methoxy-ethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C19H16N4O5S2 MolecularWeight: 444.48414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C19H16N4O5S2/c1-27-13(24)7-9-14-16(25)22-12(23-17(14)30-15(9)18(26)28-2)8-29-19-20-10-5-3-4-6-11(10)21-19/h3-6H,7-8H2,1-2H3,(H,20,21)(H,22,23,25)