5-(3-fluoranyl-4-methoxy-phenyl)pyrimidin-1-ium-2,4-diamine

Systemtic Name: 5-(3-fluoranyl-4-methoxy-phenyl)pyrimidin-1-ium-2,4-diamine Openeye Name: 5-(3-fluoro-4-methoxy-phenyl)pyrimidin-1-ium-2,4-diamine CAS Name: 5-(3-fluoro-4-methoxyphenyl)pyrimidin-1-ium-2,4-diamine IUPAC Name: 5-(3-fluoro-4-methoxyphenyl)pyrimidin-1-ium-2,4-diamine Traditional Name: [2-amino-5-(3-fluoro-4-methoxy-phenyl)pyrimidin-1-ium-4-yl]amine Formula: C11H12FN4O+ MolecularWeight: 235.237583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C[NH+]=C(N=C2N)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C[NH+]=C(N=C2N)N)F

InChI

InChI=1S/C11H11FN4O/c1-17-9-3-2-6(4-8(9)12)7-5-15-11(14)16-10(7)13/h2-5H,1H3,(H4,13,14,15,16)/p+1