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

Systemtic Name: N4-[2,5-bis(fluoranyl)phenyl]-N6-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-difluorophenyl)-N6-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-difluorophenyl)-N6-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-difluoroanilino)-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C18H15F2N5O3 MolecularWeight: 387.340206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15F2N5O3/c1-2-28-13-6-4-12(5-7-13)23-17-16(25(26)27)18(22-10-21-17)24-15-9-11(19)3-8-14(15)20/h3-10H,2H2,1H3,(H2,21,22,23,24)