2-[4-chloranyl-6-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-[1-(phenylmethyl)-4-piperidinyl]acetamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-[[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetamide Formula: C27H35ClN6O2S MolecularWeight: 543.1238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C3=CC(=NC(=N3)SCC(=O)NC4CCN(CC4)CC5=CC=CC=C5)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2)C3=CC(=NC(=N3)SCC(=O)NC4CCN(CC4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C27H35ClN6O2S/c1-19-16-33(13-14-34(19)26(36)21-7-8-21)24-15-23(28)30-27(31-24)37-18-25(35)29-22-9-11-32(12-10-22)17-20-5-3-2-4-6-20/h2-6,15,19,21-22H,7-14,16-18H2,1H3,(H,29,35)