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

Systemtic Name: ethyl 1-[3-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-[[[4-(dimethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C24H32N4O3S MolecularWeight: 456.60088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCC(CC3)C(=O)OCC)N(C)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCC(CC3)C(=O)OCC)N(C)C

InChI

InChI=1S/C24H32N4O3S/c1-5-20-15-21(27(3)4)26-24(25-20)32-16-17-8-7-9-19(14-17)22(29)28-12-10-18(11-13-28)23(30)31-6-2/h7-9,14-15,18H,5-6,10-13,16H2,1-4H3