2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-benzylpiperidino)-2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]ethanone Formula: C24H33ClN4OS MolecularWeight: 461.06302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)Cl

InChI

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