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

Systemtic Name: ethyl 5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC3=NC4=C(N3)C=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC3=NC4=C(N3)C=C(C=C4)C)C

InChI

InChI=1S/C19H18N4O3S2/c1-4-26-18(25)15-10(3)14-16(24)22-13(23-17(14)28-15)8-27-19-20-11-6-5-9(2)7-12(11)21-19/h5-7H,4,8H2,1-3H3,(H,20,21)(H,22,23,24)