2-[4-[(6-azanyl-7H-purin-2-yl)sulfanylmethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(6-azanyl-7H-purin-2-yl)sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[(6-amino-7H-purin-2-yl)sulfanylmethyl]phenyl]acetic acid CAS Name: 2-[4-[[(6-amino-7H-purin-2-yl)thio]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(6-amino-7H-purin-2-yl)sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[4-[[(6-amino-7H-purin-2-yl)thio]methyl]phenyl]acetic acid Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)CSC2=NC3=C(C(=N2)N)NC=N3

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)CSC2=NC3=C(C(=N2)N)NC=N3

InChI

InChI=1S/C14H13N5O2S/c15-12-11-13(17-7-16-11)19-14(18-12)22-6-9-3-1-8(2-4-9)5-10(20)21/h1-4,7H,5-6H2,(H,20,21)(H3,15,16,17,18,19)