2-methylsulfanyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-methylsulfanyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-(methylthio)-4-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-(methylthio)-4-piperidino-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C13H15N3O2S2 MolecularWeight: 309.4071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C=C(SC2=N1)C(=O)O)N3CCCCC3

Isomeric SMILES

CSC1=NC(=C2C=C(SC2=N1)C(=O)O)N3CCCCC3

InChI

InChI=1S/C13H15N3O2S2/c1-19-13-14-10(16-5-3-2-4-6-16)8-7-9(12(17)18)20-11(8)15-13/h7H,2-6H2,1H3,(H,17,18)