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

Systemtic Name: methyl 2-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-(4-oxidanylpiperidin-1-yl)pyrimidine-5-carboxylate Openeye Name: methyl 2-chloro-4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-(4-hydroxy-1-piperidyl)pyrimidine-5-carboxylate CAS Name: 2-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(4-hydroxy-1-piperidinyl)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-chloro-4-[(3-chloro-4-methoxy-benzyl)amino]-6-(4-hydroxypiperidino)pyrimidine-5-carboxylic acid methyl ester Formula: C19H22Cl2N4O4 MolecularWeight: 441.30838

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H22Cl2N4O4/c1-28-14-4-3-11(9-13(14)20)10-22-16-15(18(27)29-2)17(24-19(21)23-16)25-7-5-12(26)6-8-25/h3-4,9,12,26H,5-8,10H2,1-2H3,(H,22,23,24)