(2S)-2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[(6-amino-7H-purin-8-yl)sulfanyl]-2-phenyl-acetic acid CAS Name: (2S)-2-[(6-amino-7H-purin-8-yl)thio]-2-phenylacetic acid IUPAC Name: (2S)-2-[(6-amino-7H-purin-8-yl)sulfanyl]-2-phenylacetic acid Traditional Name: (2S)-2-[(6-amino-7H-purin-8-yl)thio]-2-phenyl-acetic acid Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)O)SC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C13H11N5O2S/c14-10-8-11(16-6-15-10)18-13(17-8)21-9(12(19)20)7-4-2-1-3-5-7/h1-6,9H,(H,19,20)(H3,14,15,16,17,18)/t9-/m0/s1