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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4,N4-diethyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4,N4-diethyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4,N4-diethyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N,4-N-diethyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-diethyl-amine Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O4/c1-3-19(4-2)15-13(20(21)22)14(16-8-17-15)18-10-5-6-11-12(7-10)24-9-23-11/h5-8H,3-4,9H2,1-2H3,(H,16,17,18)