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

Systemtic Name: 2-[[3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenyl]methoxy]ethylphosphonic acid Openeye Name: 2-[[3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]methoxy]ethylphosphonic acid CAS Name: 2-[[3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]methoxy]ethylphosphonic acid IUPAC Name: 2-[[3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]methoxy]ethylphosphonic acid Traditional Name: 2-[3-[(2-amino-6-keto-3H-purin-9-yl)methyl]benzyl]oxyethylphosphonic acid Formula: C15H18N5O5P MolecularWeight: 379.307681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COCCP(=O)(O)O)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1=CC(=CC(=C1)COCCP(=O)(O)O)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C15H18N5O5P/c16-15-18-13-12(14(21)19-15)17-9-20(13)7-10-2-1-3-11(6-10)8-25-4-5-26(22,23)24/h1-3,6,9H,4-5,7-8H2,(H2,22,23,24)(H3,16,18,19,21)