1-[4-bromanyl-3-(trifluoromethyl)phenyl]-2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)guanidine

Systemtic Name: 1-[4-bromanyl-3-(trifluoromethyl)phenyl]-2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)guanidine Openeye Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)guanidine CAS Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)guanidine IUPAC Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)guanidine Traditional Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-keto-6-methyl-1H-pyrimidin-2-yl)guanidine Formula: C13H11BrF3N5O MolecularWeight: 390.15855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N=C(N)NC2=CC(=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

CC1=CC(=O)N=C(N1)/N=C(\N)/NC2=CC(=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C13H11BrF3N5O/c1-6-4-10(23)21-12(19-6)22-11(18)20-7-2-3-9(14)8(5-7)13(15,16)17/h2-5H,1H3,(H4,18,19,20,21,22,23)