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

Systemtic Name: ethyl 5-methyl-2-(phenylsulfanylmethyl)-4-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-(phenylsulfanylmethyl)-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(phenylthio)methyl]-4-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(phenylsulfanylmethyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-[(phenylthio)methyl]-4-piperidino-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)N4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)N4CCCCC4)C

InChI

InChI=1S/C22H25N3O2S2/c1-3-27-22(26)19-15(2)18-20(25-12-8-5-9-13-25)23-17(24-21(18)29-19)14-28-16-10-6-4-7-11-16/h4,6-7,10-11H,3,5,8-9,12-14H2,1-2H3