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

Systemtic Name: ethyl 1-[2-[4-chloranyl-6-[4-(2-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-chloro-6-[4-(2-fluorobenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-chloro-6-[4-[(2-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-chloro-6-[4-(2-fluorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-chloro-6-[4-(2-fluorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetyl]isonipecotic acid ethyl ester Formula: C26H31ClFN5O4S MolecularWeight: 564.071843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H31ClFN5O4S/c1-3-37-25(36)18-8-10-31(11-9-18)23(34)16-38-26-29-21(27)14-22(30-26)32-12-13-33(17(2)15-32)24(35)19-6-4-5-7-20(19)28/h4-7,14,17-18H,3,8-13,15-16H2,1-2H3