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

Systemtic Name: ethyl 1-[2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[4-chloro-6-[4-(cyclopropanecarbonyl)piperazino]pyrimidin-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C22H30ClN5O4S MolecularWeight: 496.0227

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C22H30ClN5O4S/c1-2-32-21(31)16-4-3-7-28(13-16)19(29)14-33-22-24-17(23)12-18(25-22)26-8-10-27(11-9-26)20(30)15-5-6-15/h12,15-16H,2-11,13-14H2,1H3