methyl 2-[[2,4,6-tris(azanyl)pyrimidin-5-yl]diazenyl]benzoate

Systemtic Name: methyl 2-[[2,4,6-tris(azanyl)pyrimidin-5-yl]diazenyl]benzoate Openeye Name: methyl 2-(2,4,6-triaminopyrimidin-5-yl)azobenzoate CAS Name: 2-[(2,4,6-triamino-5-pyrimidinyl)azo]benzoic acid methyl ester IUPAC Name: methyl 2-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzoate Traditional Name: 2-(2,4,6-triaminopyrimidin-5-yl)azobenzoic acid methyl ester Formula: C12H13N7O2 MolecularWeight: 287.27732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N=NC2=C(N=C(N=C2N)N)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1N=NC2=C(N=C(N=C2N)N)N

InChI

InChI=1S/C12H13N7O2/c1-21-11(20)6-4-2-3-5-7(6)18-19-8-9(13)16-12(15)17-10(8)14/h2-5H,1H3,(H6,13,14,15,16,17)