N-(1,3-benzodioxol-5-ylmethyl)-6-diazanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-diazanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-hydrazino-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-hydrazinyl-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine Traditional Name: (6-hydrazino-5-nitro-pyrimidin-4-yl)-piperonyl-amine Formula: C12H12N6O4 MolecularWeight: 304.26148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NN)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NN)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O4/c13-17-12-10(18(19)20)11(15-5-16-12)14-4-7-1-2-8-9(3-7)22-6-21-8/h1-3,5H,4,6,13H2,(H2,14,15,16,17)