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

Systemtic Name: [4-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenyl]phosphonic acid Openeye Name: [4-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]phosphonic acid CAS Name: [4-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]phosphonic acid IUPAC Name: [4-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]phosphonic acid Traditional Name: [4-[(2-amino-6-keto-3H-purin-9-yl)methyl]phenyl]phosphonic acid Formula: C12H12N5O4P MolecularWeight: 321.228541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N5O4P/c13-12-15-10-9(11(18)16-12)14-6-17(10)5-7-1-3-8(4-2-7)22(19,20)21/h1-4,6H,5H2,(H2,19,20,21)(H3,13,15,16,18)