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

Systemtic Name: 2-[6-azanyl-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanylethanoic acid Openeye Name: 2-[6-amino-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanylacetic acid CAS Name: 2-[[6-amino-9-[(2-chlorophenyl)methyl]-8-purinyl]thio]acetic acid IUPAC Name: 2-[6-amino-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanylacetic acid Traditional Name: 2-[[6-amino-9-(2-chlorobenzyl)purin-8-yl]thio]acetic acid Formula: C14H12ClN5O2S MolecularWeight: 349.79538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN5O2S/c15-9-4-2-1-3-8(9)5-20-13-11(12(16)17-7-18-13)19-14(20)23-6-10(21)22/h1-4,7H,5-6H2,(H,21,22)(H2,16,17,18)