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

Systemtic Name: ethyl 1-[5-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-[[[4-(dimethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]-2-furanyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-[[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-2-furoyl]isonipecotic acid ethyl ester Formula: C22H30N4O4S MolecularWeight: 446.563

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4S/c1-5-16-13-19(25(3)4)24-22(23-16)31-14-17-7-8-18(30-17)20(27)26-11-9-15(10-12-26)21(28)29-6-2/h7-8,13,15H,5-6,9-12,14H2,1-4H3