N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-(4-ethylphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-(4-ethylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-(4-ethylphenyl)pyrimidine-4,5,6-triamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-(4-ethylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-chloro-4-fluoro-anilino)pyrimidin-4-yl]-(4-ethylphenyl)amine Formula: C18H17ClFN5 MolecularWeight: 357.812483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N

InChI

InChI=1S/C18H17ClFN5/c1-2-11-3-5-12(6-4-11)24-17-16(21)18(23-10-22-17)25-13-7-8-15(20)14(19)9-13/h3-10H,2,21H2,1H3,(H2,22,23,24,25)