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

Systemtic Name: ethyl 1-[4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C24H29ClN4O3S MolecularWeight: 489.03006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN4O3S/c1-2-32-23(31)19-9-13-29(14-10-19)22(30)18-7-5-17(6-8-18)16-33-24-26-20(25)15-21(27-24)28-11-3-4-12-28/h5-8,15,19H,2-4,9-14,16H2,1H3