[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenoxy]methyl-oxidanyl-phosphinate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenoxy]methyl-oxidanyl-phosphinate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenoxy]methyl-hydroxy-phosphinate CAS Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenoxy]methyl-hydroxyphosphinate IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenoxy]methyl-hydroxyphosphinate Traditional Name: [2-[(2-amino-6-keto-3H-purin-9-yl)methyl]phenoxy]methyl-hydroxy-phosphinate Formula: C13H13N5O5P- MolecularWeight: 350.246581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=NC3=C2NC(=NC3=O)N)OCP(=O)(O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=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)5-8-3-1-2-4-9(8)23-7-24(20,21)22/h1-4,6H,5,7H2,(H2,20,21,22)(H3,14,16,17,19)/p-1