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

Systemtic Name: ethyl 1-[3-[(4-propan-2-yl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(4-isopropyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[3-[[[4-propan-2-yl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[[(4-isopropyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)N4CCCC4)C(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)N4CCCC4)C(C)C

InChI

InChI=1S/C27H36N4O3S/c1-4-34-26(33)21-10-14-31(15-11-21)25(32)22-9-7-8-20(16-22)18-35-27-28-23(19(2)3)17-24(29-27)30-12-5-6-13-30/h7-9,16-17,19,21H,4-6,10-15,18H2,1-3H3