ethyl 1-[2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-chloro-6-[4-(cyclopentanecarbonyl)piperazino]pyrimidin-2-yl]thio]acetyl]isonipecotic acid ethyl ester Formula: C24H34ClN5O4S MolecularWeight: 524.07586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CCCC4

InChI

InChI=1S/C24H34ClN5O4S/c1-2-34-23(33)18-7-9-29(10-8-18)21(31)16-35-24-26-19(25)15-20(27-24)28-11-13-30(14-12-28)22(32)17-5-3-4-6-17/h15,17-18H,2-14,16H2,1H3