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

Systemtic Name: methyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-6-(4-oxidanylpiperidin-1-yl)pyrimidine-5-carboxylate Openeye Name: methyl 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-(4-hydroxy-1-piperidyl)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(4-hydroxy-1-piperidinyl)-2-(methylthio)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(4-hydroxypiperidin-1-yl)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-(4-hydroxypiperidino)-2-(methylthio)pyrimidine-5-carboxylic acid methyl ester Formula: C20H25ClN4O4S MolecularWeight: 452.9549

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC(=C2C(=O)OC)N3CCC(CC3)O)SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC(=C2C(=O)OC)N3CCC(CC3)O)SC)Cl

InChI

InChI=1S/C20H25ClN4O4S/c1-28-15-5-4-12(10-14(15)21)11-22-17-16(19(27)29-2)18(24-20(23-17)30-3)25-8-6-13(26)7-9-25/h4-5,10,13,26H,6-9,11H2,1-3H3,(H,22,23,24)