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

Systemtic Name: N4-(4-chlorophenyl)-N2-(3,5-dimorpholin-4-ylphenyl)-N4-methyl-pyrimidine-2,4-diamine Openeye Name: N4-(4-chlorophenyl)-N2-(3,5-dimorpholinophenyl)-N4-methyl-pyrimidine-2,4-diamine CAS Name: N2-[3,5-bis(4-morpholinyl)phenyl]-N4-(4-chlorophenyl)-N4-methylpyrimidine-2,4-diamine IUPAC Name: 4-N-(4-chlorophenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine Traditional Name: (4-chlorophenyl)-[2-(3,5-dimorpholinoanilino)pyrimidin-4-yl]-methyl-amine Formula: C25H29ClN6O2 MolecularWeight: 480.98976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN6O2/c1-30(21-4-2-19(26)3-5-21)24-6-7-27-25(29-24)28-20-16-22(31-8-12-33-13-9-31)18-23(17-20)32-10-14-34-15-11-32/h2-7,16-18H,8-15H2,1H3,(H,27,28,29)