2-[6-azanyl-9-[(4-methylphenyl)methyl]purin-8-yl]sulfanylethanoic acid

Systemtic Name: 2-[6-azanyl-9-[(4-methylphenyl)methyl]purin-8-yl]sulfanylethanoic acid Openeye Name: 2-[6-amino-9-(p-tolylmethyl)purin-8-yl]sulfanylacetic acid CAS Name: 2-[[6-amino-9-[(4-methylphenyl)methyl]-8-purinyl]thio]acetic acid IUPAC Name: 2-[6-amino-9-[(4-methylphenyl)methyl]purin-8-yl]sulfanylacetic acid Traditional Name: 2-[[6-amino-9-(4-methylbenzyl)purin-8-yl]thio]acetic acid Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2SCC(=O)O

InChI

InChI=1S/C15H15N5O2S/c1-9-2-4-10(5-3-9)6-20-14-12(13(16)17-8-18-14)19-15(20)23-7-11(21)22/h2-5,8H,6-7H2,1H3,(H,21,22)(H2,16,17,18)