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

Systemtic Name: ethyl 1-[5-[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-[[[4-(diethylamino)-6-methyl-2-pyrimidinyl]thio]methyl]-2-furanyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[[4-(diethylamino)-6-methylpyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-[[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]thio]methyl]-2-furoyl]isonipecotic acid ethyl ester Formula: C23H32N4O4S MolecularWeight: 460.58958

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C)SCC2=CC=C(O2)C(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C)SCC2=CC=C(O2)C(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C23H32N4O4S/c1-5-26(6-2)20-14-16(4)24-23(25-20)32-15-18-8-9-19(31-18)21(28)27-12-10-17(11-13-27)22(29)30-7-3/h8-9,14,17H,5-7,10-13,15H2,1-4H3