ethyl 4-[(3S)-3-aminocarbonylpiperidin-1-yl]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-aminocarbonylpiperidin-1-yl]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(3S)-3-carbamoyl-1-piperidyl]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(3S)-3-carbamoyl-1-piperidinyl]-5-methyl-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-carbamoylpiperidin-1-yl]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(3S)-3-carbamoylpiperidino]-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)N4CCCC(C4)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)N4CCC[C@@H](C4)C(=O)N)C

InChI

InChI=1S/C23H26N4O3S2/c1-3-30-23(29)19-14(2)18-21(27-11-7-8-15(12-27)20(24)28)25-17(26-22(18)32-19)13-31-16-9-5-4-6-10-16/h4-6,9-10,15H,3,7-8,11-13H2,1-2H3,(H2,24,28)/t15-/m0/s1