ethyl 2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C26H31N3O4S2 MolecularWeight: 513.67204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)NC4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)NC4CCCCC4)C

InChI

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