2-[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-dipropyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-dipropyl-ethanamide Openeye Name: 2-[4-(4-benzyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanyl-N,N-dipropyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]thio]-N,N-dipropylacetamide IUPAC Name: 2-[4-(4-benzylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N,N-dipropylacetamide Traditional Name: 2-[[4-(4-benzylpiperidino)-6-chloro-pyrimidin-2-yl]thio]-N,N-dipropyl-acetamide Formula: C24H33ClN4OS MolecularWeight: 461.06302

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCN(CCC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H33ClN4OS/c1-3-12-29(13-4-2)23(30)18-31-24-26-21(25)17-22(27-24)28-14-10-20(11-15-28)16-19-8-6-5-7-9-19/h5-9,17,20H,3-4,10-16,18H2,1-2H3