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

Systemtic Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C12H11N5O4 MolecularWeight: 289.24684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=NC=NC(=C3[N+](=O)[O-])N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=NC=NC(=C3[N+](=O)[O-])N

InChI

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