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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCCO3

InChI

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