(6-azanyl-9-phenethyl-purin-8-yl)methoxymethylphosphonic acid

Systemtic Name: (6-azanyl-9-phenethyl-purin-8-yl)methoxymethylphosphonic acid Openeye Name: (6-amino-9-phenethyl-purin-8-yl)methoxymethylphosphonic acid CAS Name: (6-amino-9-phenethyl-8-purinyl)methoxymethylphosphonic acid IUPAC Name: (6-amino-9-phenethylpurin-8-yl)methoxymethylphosphonic acid Traditional Name: (6-amino-9-phenethyl-purin-8-yl)methoxymethylphosphonic acid Formula: C15H18N5O4P MolecularWeight: 363.308281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NC3=C2N=CN=C3N)COCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NC3=C2N=CN=C3N)COCP(=O)(O)O

InChI

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