N6-(1,3-benzodioxol-5-ylmethyl)-N4-butan-2-yl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-butan-2-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-butan-2-yl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-butan-2-yl-5-nitropyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(piperonylamino)pyrimidin-4-yl]-sec-butyl-amine Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19N5O4/c1-3-10(2)20-16-14(21(22)23)15(18-8-19-16)17-7-11-4-5-12-13(6-11)25-9-24-12/h4-6,8,10H,3,7,9H2,1-2H3,(H2,17,18,19,20)