disodium 4-arsonato-2-[(2-azanylpyrimidin-4-yl)amino]phenol

Systemtic Name: disodium 4-arsonato-2-[(2-azanylpyrimidin-4-yl)amino]phenol Openeye Name: disodium 2-[(2-aminopyrimidin-4-yl)amino]-4-arsonato-phenol CAS Name: disodium 2-[(2-amino-4-pyrimidinyl)amino]-4-arsonatophenol IUPAC Name: disodium 2-[(2-aminopyrimidin-4-yl)amino]-4-arsonatophenol Traditional Name: disodium 2-[(2-aminopyrimidin-4-yl)amino]-4-arsonato-phenol Formula: C10H9AsN4Na2O4 MolecularWeight: 370.104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[As](=O)([O-])[O-])NC2=NC(=NC=C2)N)O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1[As](=O)([O-])[O-])NC2=NC(=NC=C2)N)O.[Na+].[Na+]

InChI

InChI=1S/C10H11AsN4O4.2Na/c12-10-13-4-3-9(15-10)14-7-5-6(11(17,18)19)1-2-8(7)16;;/h1-5,16H,(H2,17,18,19)(H3,12,13,14,15);;/q;2*+1/p-2