[4-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenoxy]methylphosphonic acid

Systemtic Name: [4-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenoxy]methylphosphonic acid Openeye Name: [4-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenoxy]methylphosphonic acid CAS Name: [4-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenoxy]methylphosphonic acid IUPAC Name: [4-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenoxy]methylphosphonic acid Traditional Name: [4-[(2-amino-6-keto-3H-purin-9-yl)methyl]phenoxy]methylphosphonic acid Formula: C13H14N5O5P MolecularWeight: 351.254521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2NC(=NC3=O)N)OCP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2NC(=NC3=O)N)OCP(=O)(O)O

InChI

InChI=1S/C13H14N5O5P/c14-13-16-11-10(12(19)17-13)15-6-18(11)5-8-1-3-9(4-2-8)23-7-24(20,21)22/h1-4,6H,5,7H2,(H2,20,21,22)(H3,14,16,17,19)