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

Systemtic Name: N6-(4-bromanyl-2-fluoranyl-phenyl)-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-benzyl-N6-(4-bromo-2-fluoro-phenyl)-N4-methyl-pyrimidine-4,5,6-triamine CAS Name: N6-(4-bromo-2-fluorophenyl)-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-benzyl-6-N-(4-bromo-2-fluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-bromo-2-fluoro-anilino)pyrimidin-4-yl]-benzyl-methyl-amine Formula: C18H17BrFN5 MolecularWeight: 402.263483

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H17BrFN5/c1-25(10-12-5-3-2-4-6-12)18-16(21)17(22-11-23-18)24-15-8-7-13(19)9-14(15)20/h2-9,11H,10,21H2,1H3,(H,22,23,24)