[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]methylphosphonic acid

Systemtic Name: [6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]methylphosphonic acid Openeye Name: (6-amino-9-benzyl-8-oxo-7H-purin-2-yl)methylphosphonic acid CAS Name: [6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]methylphosphonic acid IUPAC Name: (6-amino-9-benzyl-8-oxo-7H-purin-2-yl)methylphosphonic acid Traditional Name: (6-amino-9-benzyl-8-keto-7H-purin-2-yl)methylphosphonic acid Formula: C13H14N5O4P MolecularWeight: 335.255121

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)CP(=O)(O)O)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)CP(=O)(O)O)N)NC2=O

InChI

InChI=1S/C13H14N5O4P/c14-11-10-12(16-9(15-11)7-23(20,21)22)18(13(19)17-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,17,19)(H2,14,15,16)(H2,20,21,22)