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

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

CCN1C2=CC=CC=C2N=C1SCC3=NC4=C(C(=C(S4)C(=O)OCC)C)C(=O)N3

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC3=NC4=C(C(=C(S4)C(=O)OCC)C)C(=O)N3

InChI

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