4-(3,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)-6-(trifluoromethyl)pyrimidine

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)-6-(trifluoromethyl)pyrimidine Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)-6-(trifluoromethyl)pyrimidine CAS Name: 4-(3,4-dimethoxyphenyl)-2-(4-nitro-1-imidazolyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)-6-(trifluoromethyl)pyrimidine Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)-6-(trifluoromethyl)pyrimidine Formula: C16H12F3N5O4 MolecularWeight: 395.29279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3C=C(N=C3)[N+](=O)[O-])C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3C=C(N=C3)[N+](=O)[O-])C(F)(F)F)OC

InChI

InChI=1S/C16H12F3N5O4/c1-27-11-4-3-9(5-12(11)28-2)10-6-13(16(17,18)19)22-15(21-10)23-7-14(20-8-23)24(25)26/h3-8H,1-2H3