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

Systemtic Name: methyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[4-(hydroxymethyl)piperidin-1-yl]-6-(pyridin-2-ylmethylamino)pyrimidine-5-carboxylate Openeye Name: methyl 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-[4-(hydroxymethyl)-1-piperidyl]-6-(2-pyridylmethylamino)pyrimidine-5-carboxylate CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[4-(hydroxymethyl)-1-piperidinyl]-6-(2-pyridinylmethylamino)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[4-(hydroxymethyl)piperidin-1-yl]-6-(pyridin-2-ylmethylamino)pyrimidine-5-carboxylate Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2-(4-methylolpiperidino)-6-(2-pyridylmethylamino)pyrimidine-5-carboxylic acid methyl ester Formula: C26H31ClN6O4 MolecularWeight: 527.01514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=NC(=N2)N3CCC(CC3)CO)NCC4=CC=CC=N4)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=NC(=N2)N3CCC(CC3)CO)NCC4=CC=CC=N4)C(=O)OC)Cl

InChI

InChI=1S/C26H31ClN6O4/c1-36-21-7-6-18(13-20(21)27)14-29-23-22(25(35)37-2)24(30-15-19-5-3-4-10-28-19)32-26(31-23)33-11-8-17(16-34)9-12-33/h3-7,10,13,17,34H,8-9,11-12,14-16H2,1-2H3,(H2,29,30,31,32)