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

Systemtic Name: N4-[3,4-bis(fluoranyl)phenyl]-N6-butyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(3,4-difluorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(3,4-difluoroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H15F2N5O2 MolecularWeight: 323.298006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)F)F

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C14H15F2N5O2/c1-2-3-6-17-13-12(21(22)23)14(19-8-18-13)20-9-4-5-10(15)11(16)7-9/h4-5,7-8H,2-3,6H2,1H3,(H2,17,18,19,20)