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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-butyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-butyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-butyl-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-butyl-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-methyl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4/c1-3-4-7-21(2)17-15(22(23)24)16(19-10-20-17)18-9-12-5-6-13-14(8-12)26-11-25-13/h5-6,8,10H,3-4,7,9,11H2,1-2H3,(H,18,19,20)