ethyl 1-[3-[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-[[[4-(diethylamino)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[4-(diethylamino)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1C)C)SCC2=CC=CC(=C2)C(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1C)C)SCC2=CC=CC(=C2)C(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C26H36N4O3S/c1-6-29(7-2)23-18(4)19(5)27-26(28-23)34-17-20-10-9-11-22(16-20)24(31)30-14-12-21(13-15-30)25(32)33-8-3/h9-11,16,21H,6-8,12-15,17H2,1-5H3