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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-diethyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-diethyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-diethyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N,4-N-diethyl-5-nitropyrimidine-4,6-diamine Traditional Name: diethyl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]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-])NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

InChI

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