ethyl 1-[3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C25H31ClN4O3S MolecularWeight: 503.05664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4

InChI

InChI=1S/C25H31ClN4O3S/c1-2-33-24(32)19-9-13-30(14-10-19)23(31)20-8-6-7-18(15-20)17-34-25-27-21(26)16-22(28-25)29-11-4-3-5-12-29/h6-8,15-16,19H,2-5,9-14,17H2,1H3