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

Systemtic Name: ethyl 1-[4-[[4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[[4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[[[4-(4-ethyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[[[4-(4-ethylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C32H39N5O3S MolecularWeight: 573.74876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)N5CCCC(C5)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)N5CCCC(C5)C(=O)OCC

InChI

InChI=1S/C32H39N5O3S/c1-3-35-17-19-36(20-18-35)29-21-28(25-9-6-5-7-10-25)33-32(34-29)41-23-24-12-14-26(15-13-24)30(38)37-16-8-11-27(22-37)31(39)40-4-2/h5-7,9-10,12-15,21,27H,3-4,8,11,16-20,22-23H2,1-2H3