2-[6-azanyl-3-(phenylmethyl)purin-8-yl]sulfanylethanoic acid

Systemtic Name: 2-[6-azanyl-3-(phenylmethyl)purin-8-yl]sulfanylethanoic acid Openeye Name: 2-(6-amino-3-benzyl-purin-8-yl)sulfanylacetic acid CAS Name: 2-[[6-amino-3-(phenylmethyl)-8-purinyl]thio]acetic acid IUPAC Name: 2-(6-amino-3-benzylpurin-8-yl)sulfanylacetic acid Traditional Name: 2-[(6-amino-3-benzyl-purin-8-yl)thio]acetic acid Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=C3C2=NC(=N3)SCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=C3C2=NC(=N3)SCC(=O)O)N

InChI

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