[3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperidin-1-yl)methanone

Systemtic Name: [3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperidin-1-yl)methanone Openeye Name: [3-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methyl-1-piperidyl)methanone CAS Name: [3-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(4-methyl-1-piperidinyl)methanone IUPAC Name: [3-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperidin-1-yl)methanone Traditional Name: [3-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]phenyl]-(4-methylpiperidino)methanone Formula: C23H29ClN4OS MolecularWeight: 445.02056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4

InChI

InChI=1S/C23H29ClN4OS/c1-17-8-12-28(13-9-17)22(29)19-7-5-6-18(14-19)16-30-23-25-20(24)15-21(26-23)27-10-3-2-4-11-27/h5-7,14-15,17H,2-4,8-13,16H2,1H3