N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[6-(methylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C13H13N5O4 MolecularWeight: 303.27342

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C13H13N5O4/c1-14-12-11(18(19)20)13(16-7-15-12)17-8-2-3-9-10(6-8)22-5-4-21-9/h2-3,6-7H,4-5H2,1H3,(H2,14,15,16,17)