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

Systemtic Name: 3-[3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenyl]propylphosphonic acid Openeye Name: 3-[3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]propylphosphonic acid CAS Name: 3-[3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]propylphosphonic acid IUPAC Name: 3-[3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]propylphosphonic acid Traditional Name: 3-[3-[(2-amino-6-keto-3H-purin-9-yl)methyl]phenyl]propylphosphonic acid Formula: C15H18N5O4P MolecularWeight: 363.308281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N5O4P/c16-15-18-13-12(14(21)19-15)17-9-20(13)8-11-4-1-3-10(7-11)5-2-6-25(22,23)24/h1,3-4,7,9H,2,5-6,8H2,(H2,22,23,24)(H3,16,18,19,21)