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

Systemtic Name: ethyl 1-[3-[[4-(dimethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-[[4-(dimethylamino)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[3-[[[4-(dimethylamino)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[4-(dimethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[[[4-(dimethylamino)-6-isopropyl-pyrimidin-2-yl]thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C25H34N4O3S MolecularWeight: 470.62746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O3S/c1-6-32-24(31)20-11-8-12-29(15-20)23(30)19-10-7-9-18(13-19)16-33-25-26-21(17(2)3)14-22(27-25)28(4)5/h7,9-10,13-14,17,20H,6,8,11-12,15-16H2,1-5H3