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

Systemtic Name: sodium 4-[[2,4,6-tris(azanyl)pyrimidin-5-yl]diazenyl]benzoate Openeye Name: sodium 4-(2,4,6-triaminopyrimidin-5-yl)azobenzoate CAS Name: sodium 4-[(2,4,6-triamino-5-pyrimidinyl)azo]benzoate IUPAC Name: sodium 4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzoate Traditional Name: sodium 4-(2,4,6-triaminopyrimidin-5-yl)azobenzoate Formula: C11H10N7NaO2 MolecularWeight: 295.23257

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])N=NC2=C(N=C(N=C2N)N)N.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])N=NC2=C(N=C(N=C2N)N)N.[Na+]

InChI

InChI=1S/C11H11N7O2.Na/c12-8-7(9(13)16-11(14)15-8)18-17-6-3-1-5(2-4-6)10(19)20;/h1-4H,(H,19,20)(H6,12,13,14,15,16);/q;+1/p-1