5-chloranyl-N-(3-methylsulfanylphenyl)-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(3-methylsulfanylphenyl)-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(3-methylsulfanylphenyl)-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-(methylthio)phenyl]-2-(1-pyrrolidinyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(3-methylsulfanylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(methylthio)phenyl]-2-pyrrolidino-pyrimidine-4-carboxamide Formula: C16H17ClN4OS MolecularWeight: 348.85038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=NC(=NC=C2Cl)N3CCCC3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=NC(=NC=C2Cl)N3CCCC3

InChI

InChI=1S/C16H17ClN4OS/c1-23-12-6-4-5-11(9-12)19-15(22)14-13(17)10-18-16(20-14)21-7-2-3-8-21/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,22)