N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(4-butylphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(4-butylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-N6-(4-butylphenyl)pyrimidine-4,5,6-triamine CAS Name: N4-(4-bromo-2-fluorophenyl)-N6-(4-butylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-6-N-(4-butylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-bromo-2-fluoro-anilino)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C20H21BrFN5 MolecularWeight: 430.316643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)N

InChI

InChI=1S/C20H21BrFN5/c1-2-3-4-13-5-8-15(9-6-13)26-19-18(23)20(25-12-24-19)27-17-10-7-14(21)11-16(17)22/h5-12H,2-4,23H2,1H3,(H2,24,25,26,27)