ethyl 1-[5-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-2-furanyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-[[(4-ethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-2-furoyl]isonipecotic acid ethyl ester Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCC(CC3)C(=O)OCC)N4CCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCC(CC3)C(=O)OCC)N4CCCC4

InChI

InChI=1S/C24H32N4O4S/c1-3-18-15-21(27-11-5-6-12-27)26-24(25-18)33-16-19-7-8-20(32-19)22(29)28-13-9-17(10-14-28)23(30)31-4-2/h7-8,15,17H,3-6,9-14,16H2,1-2H3