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

Systemtic Name: 2-[6-azanyl-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanylbutanoic acid Openeye Name: 2-[6-amino-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanylbutanoic acid CAS Name: 2-[[6-amino-9-[(2-chlorophenyl)methyl]-8-purinyl]thio]butanoic acid IUPAC Name: 2-[6-amino-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanylbutanoic acid Traditional Name: 2-[[6-amino-9-(2-chlorobenzyl)purin-8-yl]thio]butyric acid Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC2=C(N1CC3=CC=CC=C3Cl)N=CN=C2N

Isomeric SMILES

CCC(C(=O)O)SC1=NC2=C(N1CC3=CC=CC=C3Cl)N=CN=C2N

InChI

InChI=1S/C16H16ClN5O2S/c1-2-11(15(23)24)25-16-21-12-13(18)19-8-20-14(12)22(16)7-9-5-3-4-6-10(9)17/h3-6,8,11H,2,7H2,1H3,(H,23,24)(H2,18,19,20)