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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-pentanoyl-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-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopentyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[1-(phenylmethyl)-4-piperidinyl]acetamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-[4-chloro-6-(3-methyl-4-pentanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-[[4-chloro-6-(3-methyl-4-valeryl-piperazino)pyrimidin-2-yl]thio]acetamide Formula: C28H39ClN6O2S MolecularWeight: 559.16626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39ClN6O2S/c1-3-4-10-27(37)35-16-15-34(18-21(35)2)25-17-24(29)31-28(32-25)38-20-26(36)30-23-11-13-33(14-12-23)19-22-8-6-5-7-9-22/h5-9,17,21,23H,3-4,10-16,18-20H2,1-2H3,(H,30,36)