(2R)-2-phenyl-2-(7H-purin-6-ylsulfanyl)ethanoate

Systemtic Name: (2R)-2-phenyl-2-(7H-purin-6-ylsulfanyl)ethanoate Openeye Name: (2R)-2-phenyl-2-(7H-purin-6-ylsulfanyl)acetate CAS Name: (2R)-2-phenyl-2-(7H-purin-6-ylthio)acetate IUPAC Name: (2R)-2-phenyl-2-(7H-purin-6-ylsulfanyl)acetate Traditional Name: (2R)-2-phenyl-2-(7H-purin-6-ylthio)acetate Formula: C13H9N4O2S- MolecularWeight: 285.30116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])SC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)[O-])SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C13H10N4O2S/c18-13(19)10(8-4-2-1-3-5-8)20-12-9-11(15-6-14-9)16-7-17-12/h1-7,10H,(H,18,19)(H,14,15,16,17)/p-1/t10-/m1/s1