N4-(1,3-benzodioxol-5-yl)-N6-ethyl-5-nitro-pyrimidine-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H13N5O4/c1-2-14-12-11(18(19)20)13(16-6-15-12)17-8-3-4-9-10(5-8)22-7-21-9/h3-6H,2,7H2,1H3,(H2,14,15,16,17)