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

Systemtic Name: [4-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenyl]methoxymethylphosphonic acid Openeye Name: [4-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]methoxymethylphosphonic acid CAS Name: [4-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]methoxymethylphosphonic acid IUPAC Name: [4-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]methoxymethylphosphonic acid Traditional Name: [4-[(2-amino-6-keto-3H-purin-9-yl)methyl]benzyl]oxymethylphosphonic acid Formula: C14H16N5O5P MolecularWeight: 365.281101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N5O5P/c15-14-17-12-11(13(20)18-14)16-7-19(12)5-9-1-3-10(4-2-9)6-24-8-25(21,22)23/h1-4,7H,5-6,8H2,(H2,21,22,23)(H3,15,17,18,20)