(3S)-1-[6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[6-ethyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[6-ethyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[6-ethyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]nipecotate Formula: C21H22N3O2S- MolecularWeight: 380.48328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)N3CCCC(C3)C(=O)[O-])C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)N3CCC[C@@H](C3)C(=O)[O-])C4=CC=C(C=C4)C

InChI

InChI=1S/C21H23N3O2S/c1-3-16-17(14-8-6-13(2)7-9-14)18-19(22-12-23-20(18)27-16)24-10-4-5-15(11-24)21(25)26/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,25,26)/p-1/t15-/m0/s1