ethyl 1-[4-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[[[4-(4-ethyl-1-piperazinyl)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[[[4-(4-ethylpiperazino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C28H39N5O3S MolecularWeight: 525.70596

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2C)C)SCC3=CC=C(C=C3)C(=O)N4CCCC(C4)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2C)C)SCC3=CC=C(C=C3)C(=O)N4CCCC(C4)C(=O)OCC

InChI

InChI=1S/C28H39N5O3S/c1-5-31-14-16-32(17-15-31)25-20(3)21(4)29-28(30-25)37-19-22-9-11-23(12-10-22)26(34)33-13-7-8-24(18-33)27(35)36-6-2/h9-12,24H,5-8,13-19H2,1-4H3