sodium 2-(2-azanyl-6-phenylmethoxy-purin-9-yl)ethanoate

Systemtic Name: sodium 2-(2-azanyl-6-phenylmethoxy-purin-9-yl)ethanoate Openeye Name: sodium 2-(2-amino-6-benzyloxy-purin-9-yl)acetate CAS Name: sodium 2-(2-amino-6-phenylmethoxy-9-purinyl)acetate IUPAC Name: sodium 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate Traditional Name: sodium 2-(2-amino-6-benzoxy-purin-9-yl)acetate Formula: C14H12N5NaO3 MolecularWeight: 321.26655

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC(=NC3=C2N=CN3CC(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC(=NC3=C2N=CN3CC(=O)[O-])N.[Na+]

InChI

InChI=1S/C14H13N5O3.Na/c15-14-17-12-11(16-8-19(12)6-10(20)21)13(18-14)22-7-9-4-2-1-3-5-9;/h1-5,8H,6-7H2,(H,20,21)(H2,15,17,18);/q;+1/p-1