4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-5-(4-chloranylsulfinyloxypiperidin-1-yl)carbonyl-2-(pyridin-2-ylmethoxy)pyrimidine

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-5-(4-chloranylsulfinyloxypiperidin-1-yl)carbonyl-2-(pyridin-2-ylmethoxy)pyrimidine Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-5-(4-chlorosulfinyloxypiperidine-1-carbonyl)-2-(2-pyridylmethoxy)pyrimidine CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-5-[(4-chlorosulfinyloxy-1-piperidinyl)-oxomethyl]-2-(2-pyridinylmethoxy)pyrimidine IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-5-(4-chlorosulfinyloxypiperidine-1-carbonyl)-2-(pyridin-2-ylmethoxy)pyrimidine Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-5-(4-chlorosulfinyloxypiperidine-1-carbonyl)-2-(2-pyridylmethoxy)pyrimidine Formula: C24H25Cl2N5O5S MolecularWeight: 566.4568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25Cl2N5O5S/c1-34-21-6-5-16(12-20(21)25)13-28-22-19(23(32)31-10-7-18(8-11-31)36-37(26)33)14-29-24(30-22)35-15-17-4-2-3-9-27-17/h2-6,9,12,14,18H,7-8,10-11,13,15H2,1H3,(H,28,29,30)