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

Systemtic Name: 5-fluoranyl-N2,N4-bis(4-methyl-3-nitro-phenyl)pyrimidine-2,4-diamine Openeye Name: 5-fluoro-N2,N4-bis(4-methyl-3-nitro-phenyl)pyrimidine-2,4-diamine CAS Name: 5-fluoro-N2,N4-bis(4-methyl-3-nitrophenyl)pyrimidine-2,4-diamine IUPAC Name: 5-fluoro-2-N,4-N-bis(4-methyl-3-nitrophenyl)pyrimidine-2,4-diamine Traditional Name: [5-fluoro-2-(4-methyl-3-nitro-anilino)pyrimidin-4-yl]-(4-methyl-3-nitro-phenyl)amine Formula: C18H15FN6O4 MolecularWeight: 398.347903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15FN6O4/c1-10-3-5-12(7-15(10)24(26)27)21-17-14(19)9-20-18(23-17)22-13-6-4-11(2)16(8-13)25(28)29/h3-9H,1-2H3,(H2,20,21,22,23)