N4-(4-fluorophenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-fluorophenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-fluorophenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-fluorophenyl)-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-fluorophenyl)-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-fluoroanilino)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C14H16FN5O3 MolecularWeight: 321.306943

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16FN5O3/c1-23-8-2-7-16-13-12(20(21)22)14(18-9-17-13)19-11-5-3-10(15)4-6-11/h3-6,9H,2,7-8H2,1H3,(H2,16,17,18,19)