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

Systemtic Name: N4-(5-bromanylpyridin-2-yl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-bromo-2-pyridyl)-N6-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-bromo-2-pyridinyl)-N6-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-bromopyridin-2-yl)-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (5-bromo-2-pyridyl)-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H20BrN7O3 MolecularWeight: 438.2791

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC=C(C=C3)Br

Isomeric SMILES

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC=C(C=C3)Br

InChI

InChI=1S/C16H20BrN7O3/c17-12-2-3-13(19-10-12)22-16-14(24(25)26)15(20-11-21-16)18-4-1-5-23-6-8-27-9-7-23/h2-3,10-11H,1,4-9H2,(H2,18,19,20,21,22)