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

Systemtic Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-[(2S,6S)-2,6-dimethyl-1-piperidyl]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-5-methyl-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-[(2S,6S)-2,6-dimethylpiperidino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C2=C3C(=C(SC3=NC(=N2)C4=CC=CC=C4)C(=O)O)C)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C2=C3C(=C(SC3=NC(=N2)C4=CC=CC=C4)C(=O)O)C)C

InChI

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