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

Systemtic Name: 3-[[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide Openeye Name: 3-[[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide CAS Name: 3-[[[4-chloro-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-hexylbenzamide IUPAC Name: 3-[[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-hexylbenzamide Traditional Name: 3-[[[4-chloro-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-hexyl-benzamide Formula: C29H36ClN5O2S MolecularWeight: 554.14644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H36ClN5O2S/c1-3-4-5-6-14-31-28(36)23-9-7-8-22(19-23)21-38-29-32-26(30)20-27(33-29)35-17-15-34(16-18-35)24-10-12-25(37-2)13-11-24/h7-13,19-20H,3-6,14-18,21H2,1-2H3,(H,31,36)