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

Systemtic Name: (3S)-1-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[2-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-methyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]nipecotate Formula: C20H20N3O2S- MolecularWeight: 366.4567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)N4CCCC(C4)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)N4CCC[C@@H](C4)C(=O)[O-])C

InChI

InChI=1S/C20H21N3O2S/c1-12-5-7-14(8-6-12)16-11-26-19-17(16)18(21-13(2)22-19)23-9-3-4-15(10-23)20(24)25/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,24,25)/p-1/t15-/m0/s1