ethyl 4-[3-[[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[[4-chloro-6-(4-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[[4-chloro-6-(4-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[[4-chloro-6-(4-methylpiperidino)pyrimidin-2-yl]thio]methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H32ClN5O3S MolecularWeight: 518.07128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCC(CC4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCC(CC4)C

InChI

InChI=1S/C25H32ClN5O3S/c1-3-34-25(33)31-13-11-30(12-14-31)23(32)20-6-4-5-19(15-20)17-35-24-27-21(26)16-22(28-24)29-9-7-18(2)8-10-29/h4-6,15-16,18H,3,7-14,17H2,1-2H3