N6-(1,3-benzodioxol-5-yl)-N4-(4-bromanyl-2-fluoranyl-phenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(4-bromanyl-2-fluoranyl-phenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(4-bromo-2-fluoro-phenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(4-bromo-2-fluorophenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(4-bromo-2-fluorophenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(4-bromo-2-fluoro-phenyl)amine Formula: C17H13BrFN5O2 MolecularWeight: 418.219823

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=C(C=C(C=C4)Br)F)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=C(C=C(C=C4)Br)F)N

InChI

InChI=1S/C17H13BrFN5O2/c18-9-1-3-12(11(19)5-9)24-17-15(20)16(21-7-22-17)23-10-2-4-13-14(6-10)26-8-25-13/h1-7H,8,20H2,(H2,21,22,23,24)