N4-[3,4-bis(fluoranyl)phenyl]-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[3,4-bis(fluoranyl)phenyl]-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3,4-difluorophenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,4-difluorophenyl)-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-difluorophenyl)-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3,4-difluoroanilino)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C14H15F2N5O3 MolecularWeight: 339.297406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)F)F

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C14H15F2N5O3/c1-24-6-2-5-17-13-12(21(22)23)14(19-8-18-13)20-9-3-4-10(15)11(16)7-9/h3-4,7-8H,2,5-6H2,1H3,(H2,17,18,19,20)