N6-(3-chloranyl-4-fluoranyl-phenyl)-N4-(2-ethylphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(3-chloranyl-4-fluoranyl-phenyl)-N4-(2-ethylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(3-chloro-4-fluoro-phenyl)-N4-(2-ethylphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(3-chloro-4-fluorophenyl)-N4-(2-ethylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(3-chloro-4-fluorophenyl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-chloro-4-fluoro-anilino)pyrimidin-4-yl]-(2-ethylphenyl)amine Formula: C18H17ClFN5 MolecularWeight: 357.812483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2N)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2N)NC3=CC(=C(C=C3)F)Cl

InChI

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