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

Systemtic Name: (3S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]nipecotate Formula: C19H18N3O2S- MolecularWeight: 352.43012

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-]

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S/c1-12-4-6-13(7-5-12)15-10-25-18-16(15)17(20-11-21-18)22-8-2-3-14(9-22)19(23)24/h4-7,10-11,14H,2-3,8-9H2,1H3,(H,23,24)/p-1/t14-/m0/s1