sodium 3-[[2,4,6-tris(azanyl)pyrimidin-5-yl]diazenyl]benzenesulfonic acid

Systemtic Name: sodium 3-[[2,4,6-tris(azanyl)pyrimidin-5-yl]diazenyl]benzenesulfonic acid Openeye Name: sodium 3-(2,4,6-triaminopyrimidin-5-yl)azobenzenesulfonic acid CAS Name: sodium 3-[(2,4,6-triamino-5-pyrimidinyl)azo]benzenesulfonic acid IUPAC Name: sodium 3-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzenesulfonic acid Traditional Name: sodium 3-(2,4,6-triaminopyrimidin-5-yl)azobesylic acid Formula: C10H11N7NaO3S+ MolecularWeight: 332.29421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N7O3S.Na/c11-8-7(9(12)15-10(13)14-8)17-16-5-2-1-3-6(4-5)21(18,19)20;/h1-4H,(H,18,19,20)(H6,11,12,13,14,15);/q;+1