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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-bromanylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-bromo-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-bromo-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(5-bromopyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-[(5-bromo-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H11BrN6O4 MolecularWeight: 431.20034

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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+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H11BrN6O4/c17-9-1-4-13(18-6-9)22-16-14(23(24)25)15(19-7-20-16)21-10-2-3-11-12(5-10)27-8-26-11/h1-7H,8H2,(H2,18,19,20,21,22)