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

Systemtic Name: 2-(6-azanyl-9-phenethyl-purin-8-yl)sulfanylethylphosphonic acid Openeye Name: 2-(6-amino-9-phenethyl-purin-8-yl)sulfanylethylphosphonic acid CAS Name: 2-[(6-amino-9-phenethyl-8-purinyl)thio]ethylphosphonic acid IUPAC Name: 2-(6-amino-9-phenethylpurin-8-yl)sulfanylethylphosphonic acid Traditional Name: 2-[(6-amino-9-phenethyl-purin-8-yl)thio]ethylphosphonic acid Formula: C15H18N5O3PS MolecularWeight: 379.373881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)N)N=C2SCCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)N)N=C2SCCP(=O)(O)O

InChI

InChI=1S/C15H18N5O3PS/c16-13-12-14(18-10-17-13)20(7-6-11-4-2-1-3-5-11)15(19-12)25-9-8-24(21,22)23/h1-5,10H,6-9H2,(H2,16,17,18)(H2,21,22,23)