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

Systemtic Name: ethyl 1-[3-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[3-[[[4-(diethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C30H36N4O3S MolecularWeight: 532.69684

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)N4CCCC(C4)C(=O)OCC

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)N4CCCC(C4)C(=O)OCC

InChI

InChI=1S/C30H36N4O3S/c1-4-33(5-2)27-19-26(23-13-8-7-9-14-23)31-30(32-27)38-21-22-12-10-15-24(18-22)28(35)34-17-11-16-25(20-34)29(36)37-6-3/h7-10,12-15,18-19,25H,4-6,11,16-17,20-21H2,1-3H3