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

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H20N3O2S- MolecularWeight: 318.4139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S/c1-8-5-9(2)7-19(6-8)14-12-10(3)13(16(20)21)22-15(12)18-11(4)17-14/h8-9H,5-7H2,1-4H3,(H,20,21)/p-1/t8-,9-/m0/s1