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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-bromanylpyridin-2-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-bromo-2-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(5-bromopyridin-2-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(5-bromo-2-pyridyl)amine Formula: C16H13BrN6O2 MolecularWeight: 401.21742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN6O2/c17-9-1-4-13(19-6-9)23-16-14(18)15(20-7-21-16)22-10-2-3-11-12(5-10)25-8-24-11/h1-7H,8,18H2,(H2,19,20,21,22,23)