2-azanyl-5-bromanyl-6-(2,5-dimethylphenoxy)pyrimidin-4-olate

Systemtic Name: 2-azanyl-5-bromanyl-6-(2,5-dimethylphenoxy)pyrimidin-4-olate Openeye Name: 2-amino-5-bromo-6-(2,5-dimethylphenoxy)pyrimidin-4-olate CAS Name: 2-amino-5-bromo-6-(2,5-dimethylphenoxy)-4-pyrimidinolate IUPAC Name: 2-amino-5-bromo-6-(2,5-dimethylphenoxy)pyrimidin-4-olate Traditional Name: 2-amino-5-bromo-6-(2,5-dimethylphenoxy)pyrimidin-4-olate Formula: C12H11BrN3O2- MolecularWeight: 309.13864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=NC(=NC(=C2Br)[O-])N

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=NC(=NC(=C2Br)[O-])N

InChI

InChI=1S/C12H12BrN3O2/c1-6-3-4-7(2)8(5-6)18-11-9(13)10(17)15-12(14)16-11/h3-5H,1-2H3,(H3,14,15,16,17)/p-1