N4-(2,5-dimethoxyphenyl)-N2-(3-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N2-(3-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N2-(3-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2,5-dimethoxyphenyl)-N2-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-2-N-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-2-yl]-(3-fluorophenyl)amine Formula: C18H17FN6O4 MolecularWeight: 400.363783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC(=CC=C3)F

InChI

InChI=1S/C18H17FN6O4/c1-28-12-6-7-14(29-2)13(9-12)22-17-15(25(26)27)16(20)23-18(24-17)21-11-5-3-4-10(19)8-11/h3-9H,1-2H3,(H4,20,21,22,23,24)