1-(4-iodophenyl)-2-[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine

Systemtic Name: 1-(4-iodophenyl)-2-[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine Openeye Name: 1-(4-iodophenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine CAS Name: 1-(4-iodophenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine IUPAC Name: 1-(4-iodophenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine Traditional Name: 1-(4-iodophenyl)-2-[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine Formula: C12H9F3IN5O MolecularWeight: 423.13244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=NC2=NC(=O)C=C(N2)C(F)(F)F)N)I

Isomeric SMILES

C1=CC(=CC=C1N/C(=N/C2=NC(=O)C=C(N2)C(F)(F)F)/N)I

InChI

InChI=1S/C12H9F3IN5O/c13-12(14,15)8-5-9(22)20-11(19-8)21-10(17)18-7-3-1-6(16)2-4-7/h1-5H,(H4,17,18,19,20,21,22)