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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-butan-2-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-butan-2-yl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-butan-2-yl-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C15H17N5O4 MolecularWeight: 331.32658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H17N5O4/c1-3-9(2)18-14-13(20(21)22)15(17-7-16-14)19-10-4-5-11-12(6-10)24-8-23-11/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,19)