N4-[2,5-bis(fluoranyl)phenyl]-N6-(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[2,5-bis(fluoranyl)phenyl]-N6-(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-N4-(2,5-difluorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4-(2,5-difluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(2,5-difluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-(2,5-difluorophenyl)amine Formula: C20H19F2N5O2 MolecularWeight: 399.393966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19F2N5O2/c1-2-3-4-13-5-8-15(9-6-13)25-19-18(27(28)29)20(24-12-23-19)26-17-11-14(21)7-10-16(17)22/h5-12H,2-4H2,1H3,(H2,23,24,25,26)