2-(6-azanyl-9-phenethyl-purin-8-yl)sulfonylethylphosphonic acid

Systemtic Name: 2-(6-azanyl-9-phenethyl-purin-8-yl)sulfonylethylphosphonic acid Openeye Name: 2-(6-amino-9-phenethyl-purin-8-yl)sulfonylethylphosphonic acid CAS Name: 2-[(6-amino-9-phenethyl-8-purinyl)sulfonyl]ethylphosphonic acid IUPAC Name: 2-(6-amino-9-phenethylpurin-8-yl)sulfonylethylphosphonic acid Traditional Name: 2-(6-amino-9-phenethyl-purin-8-yl)sulfonylethylphosphonic acid Formula: C15H18N5O5PS MolecularWeight: 411.372681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)CCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)CCP(=O)(O)O

InChI

InChI=1S/C15H18N5O5PS/c16-13-12-14(18-10-17-13)20(7-6-11-4-2-1-3-5-11)15(19-12)27(24,25)9-8-26(21,22)23/h1-5,10H,6-9H2,(H2,16,17,18)(H2,21,22,23)