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

Systemtic Name: ethyl 1-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[3-[[[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[[[4-methyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C26H35N5O3S MolecularWeight: 497.6528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)N4CCN(CC4)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)N4CCN(CC4)C)C

InChI

InChI=1S/C26H35N5O3S/c1-4-34-25(33)22-9-6-10-31(17-22)24(32)21-8-5-7-20(16-21)18-35-26-27-19(2)15-23(28-26)30-13-11-29(3)12-14-30/h5,7-8,15-16,22H,4,6,9-14,17-18H2,1-3H3