3-[[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide Openeye Name: 3-[[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide CAS Name: 3-[[[4-chloro-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-cyclohexylbenzamide IUPAC Name: 3-[[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexylbenzamide Traditional Name: 3-[[[4-chloro-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-cyclohexyl-benzamide Formula: C29H34ClN5O2S MolecularWeight: 552.13056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NC5CCCCC5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NC5CCCCC5)Cl

InChI

InChI=1S/C29H34ClN5O2S/c1-37-25-12-10-24(11-13-25)34-14-16-35(17-15-34)27-19-26(30)32-29(33-27)38-20-21-6-5-7-22(18-21)28(36)31-23-8-3-2-4-9-23/h5-7,10-13,18-19,23H,2-4,8-9,14-17,20H2,1H3,(H,31,36)