N4-(3-chloranyl-4-fluoranyl-phenyl)-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N2-[4-(4-methyl-1-piperazinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine Traditional Name: [4-(3-chloro-4-fluoro-anilino)pyrimidin-2-yl]-[4-(4-methylpiperazino)phenyl]amine Formula: C21H22ClFN6 MolecularWeight: 412.890983

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H22ClFN6/c1-28-10-12-29(13-11-28)17-5-2-15(3-6-17)26-21-24-9-8-20(27-21)25-16-4-7-19(23)18(22)14-16/h2-9,14H,10-13H2,1H3,(H2,24,25,26,27)