N2-(3,4-dimethoxyphenyl)-5-fluoranyl-N4-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine

Systemtic Name: N2-(3,4-dimethoxyphenyl)-5-fluoranyl-N4-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine Openeye Name: N2-(3,4-dimethoxyphenyl)-5-fluoro-N4-[4-(3-morpholinopropoxy)phenyl]pyrimidine-2,4-diamine CAS Name: N2-(3,4-dimethoxyphenyl)-5-fluoro-N4-[4-[3-(4-morpholinyl)propoxy]phenyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(3,4-dimethoxyphenyl)-5-fluoro-4-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine Traditional Name: [2-(3,4-dimethoxyanilino)-5-fluoro-pyrimidin-4-yl]-[4-(3-morpholinopropoxy)phenyl]amine Formula: C25H30FN5O4 MolecularWeight: 483.535203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)OCCCN4CCOCC4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)OCCCN4CCOCC4)F)OC

InChI

InChI=1S/C25H30FN5O4/c1-32-22-9-6-19(16-23(22)33-2)29-25-27-17-21(26)24(30-25)28-18-4-7-20(8-5-18)35-13-3-10-31-11-14-34-15-12-31/h4-9,16-17H,3,10-15H2,1-2H3,(H2,27,28,29,30)