5-(3,4-dimethoxyphenyl)pyrimidin-1-ium-2,4-diamine

Systemtic Name: 5-(3,4-dimethoxyphenyl)pyrimidin-1-ium-2,4-diamine Openeye Name: 5-(3,4-dimethoxyphenyl)pyrimidin-1-ium-2,4-diamine CAS Name: 5-(3,4-dimethoxyphenyl)pyrimidin-1-ium-2,4-diamine IUPAC Name: 5-(3,4-dimethoxyphenyl)pyrimidin-1-ium-2,4-diamine Traditional Name: [2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-1-ium-4-yl]amine Formula: C12H15N4O2+ MolecularWeight: 247.2731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O2/c1-17-9-4-3-7(5-10(9)18-2)8-6-15-12(14)16-11(8)13/h3-6H,1-2H3,(H4,13,14,15,16)/p+1