2-phenylmethoxyethyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfinyl-6-(4-oxidanylpiperidin-1-yl)pyrimidine-5-carboxylate

Systemtic Name: 2-phenylmethoxyethyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfinyl-6-(4-oxidanylpiperidin-1-yl)pyrimidine-5-carboxylate Openeye Name: 2-benzyloxyethyl 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-(4-hydroxy-1-piperidyl)-2-methylsulfinyl-pyrimidine-5-carboxylate CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(4-hydroxy-1-piperidinyl)-2-methylsulfinyl-5-pyrimidinecarboxylic acid 2-phenylmethoxyethyl ester IUPAC Name: 2-phenylmethoxyethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(4-hydroxypiperidin-1-yl)-2-methylsulfinylpyrimidine-5-carboxylate Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-(4-hydroxypiperidino)-2-methylsulfinyl-pyrimidine-5-carboxylic acid 2-benzoxyethyl ester Formula: C28H33ClN4O6S MolecularWeight: 589.10282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC(=C2C(=O)OCCOCC3=CC=CC=C3)N4CCC(CC4)O)S(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC(=C2C(=O)OCCOCC3=CC=CC=C3)N4CCC(CC4)O)S(=O)C)Cl

InChI

InChI=1S/C28H33ClN4O6S/c1-37-23-9-8-20(16-22(23)29)17-30-25-24(27(35)39-15-14-38-18-19-6-4-3-5-7-19)26(32-28(31-25)40(2)36)33-12-10-21(34)11-13-33/h3-9,16,21,34H,10-15,17-18H2,1-2H3,(H,30,31,32)