disodium 2-arsonato-5-[(2-azanylpyrimidin-4-yl)amino]phenol

Systemtic Name: disodium 2-arsonato-5-[(2-azanylpyrimidin-4-yl)amino]phenol Openeye Name: disodium 5-[(2-aminopyrimidin-4-yl)amino]-2-arsonato-phenol CAS Name: disodium 5-[(2-amino-4-pyrimidinyl)amino]-2-arsonatophenol IUPAC Name: disodium 5-[(2-aminopyrimidin-4-yl)amino]-2-arsonatophenol Traditional Name: disodium 5-[(2-aminopyrimidin-4-yl)amino]-2-arsonato-phenol Formula: C10H9AsN4Na2O4 MolecularWeight: 370.104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=NC=C2)N)O)[As](=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=NC=C2)N)O)[As](=O)([O-])[O-].[Na+].[Na+]

InChI

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