ethyl 1-[2-[4-chloranyl-6-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-chloranyl-6-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C25H36ClN5O4S MolecularWeight: 538.10244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)C4CCCC4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)C4CCCC4

InChI

InChI=1S/C25H36ClN5O4S/c1-3-35-24(34)19-9-6-10-30(15-19)22(32)16-36-25-27-20(26)13-21(28-25)29-11-12-31(17(2)14-29)23(33)18-7-4-5-8-18/h13,17-19H,3-12,14-16H2,1-2H3