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

Systemtic Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[1-(phenylmethyl)-4-piperidinyl]acetamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-[4-(4-butanoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-[[4-(4-butyryl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]acetamide Formula: C27H37ClN6O2S MolecularWeight: 545.13968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3CCN(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3CCN(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H37ClN6O2S/c1-3-7-26(36)34-15-14-33(17-20(34)2)24-16-23(28)30-27(31-24)37-19-25(35)29-22-10-12-32(13-11-22)18-21-8-5-4-6-9-21/h4-6,8-9,16,20,22H,3,7,10-15,17-19H2,1-2H3,(H,29,35)