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

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(4-bromo-2-fluorophenyl)-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-bromo-2-fluoro-anilino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H14BrFN6 MolecularWeight: 389.224963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=NC=NC(=C2N)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC(=CN=C1)CNC2=NC=NC(=C2N)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H14BrFN6/c17-11-3-4-13(12(18)6-11)24-16-14(19)15(22-9-23-16)21-8-10-2-1-5-20-7-10/h1-7,9H,8,19H2,(H2,21,22,23,24)