4-phenylsulfanyl-2-pyridin-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid

Systemtic Name: 4-phenylsulfanyl-2-pyridin-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid Openeye Name: 4-phenylsulfanyl-2-(2-pyridyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid CAS Name: 4-(phenylthio)-2-(2-pyridinyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid IUPAC Name: 4-phenylsulfanyl-2-pyridin-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid Traditional Name: 4-(phenylthio)-2-(2-pyridyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid Formula: C20H17N3O2S MolecularWeight: 363.43288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C2C(=CC=CN2C1SC3=CC=CC=C3)C(=O)O)C4=CC=CC=N4

Isomeric SMILES

C1C(N=C2C(=CC=CN2C1SC3=CC=CC=C3)C(=O)O)C4=CC=CC=N4

InChI

InChI=1S/C20H17N3O2S/c24-20(25)15-9-6-12-23-18(26-14-7-2-1-3-8-14)13-17(22-19(15)23)16-10-4-5-11-21-16/h1-12,17-18H,13H2,(H,24,25)