N4-(1,3-benzodioxol-5-ylmethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-piperonyl-amine Formula: C12H11N5O4 MolecularWeight: 289.24684

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])N

InChI

InChI=1S/C12H11N5O4/c13-11-10(17(18)19)12(16-5-15-11)14-4-7-1-2-8-9(3-7)21-6-20-8/h1-3,5H,4,6H2,(H3,13,14,15,16)