4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-[(3S,5S)-3,5-dimethyl-1-piperidyl]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-5-methyl-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C21H22N3O2S- MolecularWeight: 380.48328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C3C(=C(SC3=NC(=N2)C4=CC=CC=C4)C(=O)[O-])C)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=C3C(=C(SC3=NC(=N2)C4=CC=CC=C4)C(=O)[O-])C)C

InChI

InChI=1S/C21H23N3O2S/c1-12-9-13(2)11-24(10-12)19-16-14(3)17(21(25)26)27-20(16)23-18(22-19)15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3,(H,25,26)/p-1/t12-,13-/m0/s1