N4-[(4-fluorophenyl)methyl]-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[(4-fluorophenyl)methyl]-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[(4-fluorophenyl)methyl]-N6-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(4-fluorophenyl)methyl]-N6-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-fluorophenyl)methyl]-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-fluorobenzyl)-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H23FN6O3 MolecularWeight: 390.412023

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)F

Isomeric SMILES

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H23FN6O3/c19-15-4-2-14(3-5-15)12-21-18-16(25(26)27)17(22-13-23-18)20-6-1-7-24-8-10-28-11-9-24/h2-5,13H,1,6-12H2,(H2,20,21,22,23)