ethyl 1-[5-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-2-furanyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-[[(4-ethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-2-furoyl]nipecotic 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)N3CCCC(C3)C(=O)OCC)N4CCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC(C3)C(=O)OCC)N4CCCC4

InChI

InChI=1S/C24H32N4O4S/c1-3-18-14-21(27-11-5-6-12-27)26-24(25-18)33-16-19-9-10-20(32-19)22(29)28-13-7-8-17(15-28)23(30)31-4-2/h9-10,14,17H,3-8,11-13,15-16H2,1-2H3