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

Systemtic Name: ethyl 2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-(butylamino)-2-oxoethyl]thio]-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(butylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[2-(butylamino)-2-keto-ethyl]thio]-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1CCC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1CCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O4S2/c1-4-6-13-25-18(28)15-32-24-26-21-19(16(3)20(33-21)23(30)31-5-2)22(29)27(24)14-12-17-10-8-7-9-11-17/h7-11H,4-6,12-15H2,1-3H3,(H,25,28)