5-chloranyl-N-(4-piperidin-1-ylsulfonylphenyl)-2-propylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-piperidin-1-ylsulfonylphenyl)-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-(1-piperidylsulfonyl)phenyl]-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-(1-piperidinylsulfonyl)phenyl]-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-piperidin-1-ylsulfonylphenyl)-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(4-piperidinosulfonylphenyl)-2-(propylthio)pyrimidine-4-carboxamide Formula: C19H23ClN4O3S2 MolecularWeight: 454.99392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C19H23ClN4O3S2/c1-2-12-28-19-21-13-16(20)17(23-19)18(25)22-14-6-8-15(9-7-14)29(26,27)24-10-4-3-5-11-24/h6-9,13H,2-5,10-12H2,1H3,(H,22,25)