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

Systemtic Name: ethyl 1-[4-[[4-(4-ethanoylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[[4-(4-acetylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[[[4-(4-acetyl-1-piperazinyl)-6-ethyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[[[4-(4-acetylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C28H37N5O4S MolecularWeight: 539.68948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCCC(C3)C(=O)OCC)N4CCN(CC4)C(=O)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCCC(C3)C(=O)OCC)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C28H37N5O4S/c1-4-24-17-25(32-15-13-31(14-16-32)20(3)34)30-28(29-24)38-19-21-8-10-22(11-9-21)26(35)33-12-6-7-23(18-33)27(36)37-5-2/h8-11,17,23H,4-7,12-16,18-19H2,1-3H3