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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-(1,3-benzodioxol-5-yl)amine Formula: C11H9N5O4 MolecularWeight: 275.22026

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N

InChI

InChI=1S/C11H9N5O4/c12-10-9(16(17)18)11(14-4-13-10)15-6-1-2-7-8(3-6)20-5-19-7/h1-4H,5H2,(H3,12,13,14,15)