1-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid Openeye Name: 1-(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid CAS Name: 1-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxylic acid IUPAC Name: 1-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid Traditional Name: 1-(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)isonipecotic acid Formula: C17H21N3O2S MolecularWeight: 331.43254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C17H21N3O2S/c1-10-18-15(20-8-6-11(7-9-20)17(21)22)14-12-4-2-3-5-13(12)23-16(14)19-10/h11H,2-9H2,1H3,(H,21,22)