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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

InChI

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