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

Systemtic Name: methyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-(4-oxidanylpiperidin-1-yl)-2-(pyridin-2-ylmethoxy)pyrimidine-5-carboxylate Openeye Name: methyl 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-(4-hydroxy-1-piperidyl)-2-(2-pyridylmethoxy)pyrimidine-5-carboxylate CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(4-hydroxy-1-piperidinyl)-2-(2-pyridinylmethoxy)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(4-hydroxypiperidin-1-yl)-2-(pyridin-2-ylmethoxy)pyrimidine-5-carboxylate Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-(4-hydroxypiperidino)-2-(2-pyridylmethoxy)pyrimidine-5-carboxylic acid methyl ester Formula: C25H28ClN5O5 MolecularWeight: 513.97332

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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)OCC4=CC=CC=N4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC(=C2C(=O)OC)N3CCC(CC3)O)OCC4=CC=CC=N4)Cl

InChI

InChI=1S/C25H28ClN5O5/c1-34-20-7-6-16(13-19(20)26)14-28-22-21(24(33)35-2)23(31-11-8-18(32)9-12-31)30-25(29-22)36-15-17-5-3-4-10-27-17/h3-7,10,13,18,32H,8-9,11-12,14-15H2,1-2H3,(H,28,29,30)