ethyl 1-[3-[[4-(diethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[[4-(diethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-[[[4-(diethylamino)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C(C)C)SCC2=CC=CC(=C2)C(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C(C)C)SCC2=CC=CC(=C2)C(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C27H38N4O3S/c1-6-30(7-2)24-17-23(19(4)5)28-27(29-24)35-18-20-10-9-11-22(16-20)25(32)31-14-12-21(13-15-31)26(33)34-8-3/h9-11,16-17,19,21H,6-8,12-15,18H2,1-5H3