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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 3-methoxypropyl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C16H19N5O5 MolecularWeight: 361.35256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19N5O5/c1-24-6-2-5-17-15-14(21(22)23)16(20-9-19-15)18-8-11-3-4-12-13(7-11)26-10-25-12/h3-4,7,9H,2,5-6,8,10H2,1H3,(H2,17,18,19,20)