N2-(3,5-dimorpholin-4-ylphenyl)-N4-(3-fluorophenyl)-N4-methyl-pyrimidine-2,4-diamine

Systemtic Name: N2-(3,5-dimorpholin-4-ylphenyl)-N4-(3-fluorophenyl)-N4-methyl-pyrimidine-2,4-diamine Openeye Name: N2-(3,5-dimorpholinophenyl)-N4-(3-fluorophenyl)-N4-methyl-pyrimidine-2,4-diamine CAS Name: N2-[3,5-bis(4-morpholinyl)phenyl]-N4-(3-fluorophenyl)-N4-methylpyrimidine-2,4-diamine IUPAC Name: 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine Traditional Name: [2-(3,5-dimorpholinoanilino)pyrimidin-4-yl]-(3-fluorophenyl)-methyl-amine Formula: C25H29FN6O2 MolecularWeight: 464.535163

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=CC=C1)F)C2=NC(=NC=C2)NC3=CC(=CC(=C3)N4CCOCC4)N5CCOCC5

Isomeric SMILES

CN(C1=CC(=CC=C1)F)C2=NC(=NC=C2)NC3=CC(=CC(=C3)N4CCOCC4)N5CCOCC5

InChI

InChI=1S/C25H29FN6O2/c1-30(21-4-2-3-19(26)15-21)24-5-6-27-25(29-24)28-20-16-22(31-7-11-33-12-8-31)18-23(17-20)32-9-13-34-14-10-32/h2-6,15-18H,7-14H2,1H3,(H,27,28,29)