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

Systemtic Name: (3S)-1-[5-(4-methoxyphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[5-(4-methoxyphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[5-(4-methoxyphenyl)-2-methyl-4-thieno[2,3-d]pyrimidinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-(4-methoxyphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]nipecotate Formula: C20H20N3O3S- MolecularWeight: 382.4561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=C(C=C3)OC)N4CCCC(C4)C(=O)[O-]

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=C(C=C3)OC)N4CCC[C@@H](C4)C(=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-12-21-18(23-9-3-4-14(10-23)20(24)25)17-16(11-27-19(17)22-12)13-5-7-15(26-2)8-6-13/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,24,25)/p-1/t14-/m0/s1