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

Systemtic Name: disodium 2-[4-arsonato-2-[(2-azanylpyrimidin-4-yl)amino]phenoxy]ethanol Openeye Name: disodium 2-[2-[(2-aminopyrimidin-4-yl)amino]-4-arsonato-phenoxy]ethanol CAS Name: disodium 2-[2-[(2-amino-4-pyrimidinyl)amino]-4-arsonatophenoxy]ethanol IUPAC Name: disodium 2-[2-[(2-aminopyrimidin-4-yl)amino]-4-arsonatophenoxy]ethanol Traditional Name: disodium 2-[2-[(2-aminopyrimidin-4-yl)amino]-4-arsonato-phenoxy]ethanol Formula: C12H13AsN4Na2O5 MolecularWeight: 414.15656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15AsN4O5.2Na/c14-12-15-4-3-11(17-12)16-9-7-8(13(19,20)21)1-2-10(9)22-6-5-18;;/h1-4,7,18H,5-6H2,(H2,19,20,21)(H3,14,15,16,17);;/q;2*+1/p-2