N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4,N4-diethyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4,N4-diethyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4,N4-diethyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4,N4-diethyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,4-N-diethyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-nitro-pyrimidin-4-yl]-diethyl-amine Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCN(CC)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H19N5O4/c1-3-20(4-2)16-14(21(22)23)15(17-10-18-16)19-11-5-6-12-13(9-11)25-8-7-24-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,19)