N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-[2-[4-(3-chlorophenyl)piperazino]ethyl]-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C21H28ClN5OS MolecularWeight: 433.99792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NCCN2CCN(CC2)C3=CC(=CC=C3)Cl)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NCCN2CCN(CC2)C3=CC(=CC=C3)Cl)SC

InChI

InChI=1S/C21H28ClN5OS/c1-3-5-19-18(15-24-21(25-19)29-2)20(28)23-8-9-26-10-12-27(13-11-26)17-7-4-6-16(22)14-17/h4,6-7,14-15H,3,5,8-13H2,1-2H3,(H,23,28)