5-methyl-4-[4-(phenylmethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-[4-(phenylmethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(4-benzyl-1-piperidyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-[4-(phenylmethyl)-1-piperidinyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(4-benzylpiperidin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(4-benzylpiperidino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C20H21N3O2S MolecularWeight: 367.46464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H21N3O2S/c1-13-16-18(21-12-22-19(16)26-17(13)20(24)25)23-9-7-15(8-10-23)11-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3,(H,24,25)