2-phenylmethoxyethyl 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]-6-oxidanyl-piperidine-2-carboxylate

Systemtic Name: 2-phenylmethoxyethyl 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]-6-oxidanyl-piperidine-2-carboxylate Openeye Name: 2-benzyloxyethyl 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]-6-hydroxy-piperidine-2-carboxylate CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(methylthio)-5-pyrimidinyl]-6-hydroxy-2-piperidinecarboxylic acid 2-phenylmethoxyethyl ester IUPAC Name: 2-phenylmethoxyethyl 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]-6-hydroxypiperidine-2-carboxylate Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-2-(methylthio)pyrimidin-5-yl]-6-hydroxy-pipecolinic acid 2-benzoxyethyl ester Formula: C28H33ClN4O5S MolecularWeight: 573.10342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2N3C(CCCC3O)C(=O)OCCOCC4=CC=CC=C4)SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2N3C(CCCC3O)C(=O)OCCOCC4=CC=CC=C4)SC)Cl

InChI

InChI=1S/C28H33ClN4O5S/c1-36-24-12-11-20(15-21(24)29)16-30-26-23(17-31-28(32-26)39-2)33-22(9-6-10-25(33)34)27(35)38-14-13-37-18-19-7-4-3-5-8-19/h3-5,7-8,11-12,15,17,22,25,34H,6,9-10,13-14,16,18H2,1-2H3,(H,30,31,32)