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

Systemtic Name: ethyl 1-[4-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[[[4-ethyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[[[4-ethyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C27H37N5O3S MolecularWeight: 511.67938

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N5O3S/c1-4-23-17-24(31-15-13-30(3)14-16-31)29-27(28-23)36-19-20-8-10-21(11-9-20)25(33)32-12-6-7-22(18-32)26(34)35-5-2/h8-11,17,22H,4-7,12-16,18-19H2,1-3H3