3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide

Systemtic Name: 3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide Openeye Name: 3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide CAS Name: 3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]-N-(2-dimethylaminoethyl)benzamide IUPAC Name: 3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide Traditional Name: 3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-(2-dimethylaminoethyl)benzamide Formula: C29H34ClN5O2S MolecularWeight: 552.13056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCCN(C)C)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1(CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCCN(C)C)Cl)C4=CC=CC=C4

InChI

InChI=1S/C29H34ClN5O2S/c1-21(36)29(24-10-5-4-6-11-24)12-15-35(16-13-29)26-19-25(30)32-28(33-26)38-20-22-8-7-9-23(18-22)27(37)31-14-17-34(2)3/h4-11,18-19H,12-17,20H2,1-3H3,(H,31,37)