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

Systemtic Name: ethyl 1-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N(C)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N(C)C)C

InChI

InChI=1S/C23H30N4O3S/c1-5-30-22(29)19-7-6-12-27(14-19)21(28)18-10-8-17(9-11-18)15-31-23-24-16(2)13-20(25-23)26(3)4/h8-11,13,19H,5-7,12,14-15H2,1-4H3