N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N4-(4-bromo-2-fluorophenyl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-bromo-2-fluoro-anilino)pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C17H15BrFN5O MolecularWeight: 404.236303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)N

InChI

InChI=1S/C17H15BrFN5O/c1-25-12-4-2-3-11(8-12)23-16-15(20)17(22-9-21-16)24-14-6-5-10(18)7-13(14)19/h2-9H,20H2,1H3,(H2,21,22,23,24)