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

Systemtic Name: ethyl 1-[4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C24H31ClN4O3S MolecularWeight: 491.04594

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OCC)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OCC)Cl

InChI

InChI=1S/C24H31ClN4O3S/c1-4-28(5-2)21-15-20(25)26-24(27-21)33-16-17-7-9-18(10-8-17)22(30)29-13-11-19(12-14-29)23(31)32-6-3/h7-10,15,19H,4-6,11-14,16H2,1-3H3