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

Systemtic Name: 5-fluoranyl-N2,N4-bis(2-methoxy-5-nitro-phenyl)pyrimidine-2,4-diamine Openeye Name: 5-fluoro-N2,N4-bis(2-methoxy-5-nitro-phenyl)pyrimidine-2,4-diamine CAS Name: 5-fluoro-N2,N4-bis(2-methoxy-5-nitrophenyl)pyrimidine-2,4-diamine IUPAC Name: 5-fluoro-2-N,4-N-bis(2-methoxy-5-nitrophenyl)pyrimidine-2,4-diamine Traditional Name: [5-fluoro-2-(2-methoxy-5-nitro-anilino)pyrimidin-4-yl]-(2-methoxy-5-nitro-phenyl)amine Formula: C18H15FN6O6 MolecularWeight: 430.346703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC(=NC=C2F)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC(=NC=C2F)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H15FN6O6/c1-30-15-5-3-10(24(26)27)7-13(15)21-17-12(19)9-20-18(23-17)22-14-8-11(25(28)29)4-6-16(14)31-2/h3-9H,1-2H3,(H2,20,21,22,23)