N2,N4-bis(3-azanyl-4-nitro-phenyl)-5-fluoranyl-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis(3-azanyl-4-nitro-phenyl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(3-amino-4-nitro-phenyl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(3-amino-4-nitrophenyl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(3-amino-4-nitrophenyl)-5-fluoropyrimidine-2,4-diamine Traditional Name: [2-(3-amino-4-nitro-anilino)-5-fluoro-pyrimidin-4-yl]-(3-amino-4-nitro-phenyl)amine Formula: C16H13FN8O4 MolecularWeight: 400.324023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)[N+](=O)[O-])N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)[N+](=O)[O-])N)N)[N+](=O)[O-]

InChI

InChI=1S/C16H13FN8O4/c17-10-7-20-16(22-9-2-4-14(25(28)29)12(19)6-9)23-15(10)21-8-1-3-13(24(26)27)11(18)5-8/h1-7H,18-19H2,(H2,20,21,22,23)