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

Systemtic Name: ethyl 5-methyl-2-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[1-[(6-methyl-1H-benzimidazol-2-yl)thio]ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[1-[(6-methyl-1H-benzimidazol-2-yl)thio]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC3=NC4=C(N3)C=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC3=NC4=C(N3)C=C(C=C4)C)C

InChI

InChI=1S/C20H20N4O3S2/c1-5-27-19(26)15-10(3)14-17(25)23-16(24-18(14)29-15)11(4)28-20-21-12-7-6-9(2)8-13(12)22-20/h6-8,11H,5H2,1-4H3,(H,21,22)(H,23,24,25)