N4-(1,3-benzodioxol-5-ylmethyl)-N6-methyl-5-nitro-pyrimidine-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=NC=N1)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C(=NC=N1)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

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