ethyl 2-[6-(cyclohexylcarbamoyl)-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-(cyclohexylcarbamoyl)-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-(cyclohexylcarbamoyl)-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[6-[(cyclohexylamino)-oxomethyl]-5-methyl-4-oxo-3-phenethyl-2-thieno[2,3-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(cyclohexylcarbamoyl)-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(cyclohexylcarbamoyl)-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C26H31N3O4S2 MolecularWeight: 513.67204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=C(S2)C(=O)NC3CCCCC3)C)C(=O)N1CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=C(S2)C(=O)NC3CCCCC3)C)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O4S2/c1-3-33-20(30)16-34-26-28-24-21(25(32)29(26)15-14-18-10-6-4-7-11-18)17(2)22(35-24)23(31)27-19-12-8-5-9-13-19/h4,6-7,10-11,19H,3,5,8-9,12-16H2,1-2H3,(H,27,31)