N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N4-propan-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N4-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-isopropyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N4-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C15H17N5O4 MolecularWeight: 331.32658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C15H17N5O4/c1-9(2)18-14-13(20(21)22)15(17-8-16-14)19-10-3-4-11-12(7-10)24-6-5-23-11/h3-4,7-9H,5-6H2,1-2H3,(H2,16,17,18,19)