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

Systemtic Name: ethyl 1-[3-[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[3-[[[4-(dimethylamino)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C24H32N4O3S MolecularWeight: 456.60088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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