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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[(1S)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-[2-oxo-2-(1-piperidyl)ethyl]sulfanylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(1S)-1-[[2-oxo-2-(1-piperidinyl)ethyl]thio]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-(2-oxo-2-piperidin-1-ylethyl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2-[(1S)-1-[(2-keto-2-piperidino-ethyl)thio]ethyl]-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SCC(=O)N3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)SCC(=O)N3CCCCC3)C

InChI

InChI=1S/C19H25N3O4S2/c1-4-26-19(25)15-11(2)14-17(24)20-16(21-18(14)28-15)12(3)27-10-13(23)22-8-6-5-7-9-22/h12H,4-10H2,1-3H3,(H,20,21,24)/t12-/m0/s1