2-[6-azanyl-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanyl-3-methyl-butanoic acid

Systemtic Name: 2-[6-azanyl-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanyl-3-methyl-butanoic acid Openeye Name: 2-[6-amino-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanyl-3-methyl-butanoic acid CAS Name: 2-[[6-amino-9-[(2-chlorophenyl)methyl]-8-purinyl]thio]-3-methylbutanoic acid IUPAC Name: 2-[6-amino-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanyl-3-methylbutanoic acid Traditional Name: 2-[[6-amino-9-(2-chlorobenzyl)purin-8-yl]thio]-3-methyl-butyric acid Formula: C17H18ClN5O2S MolecularWeight: 391.87512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5O2S/c1-9(2)13(16(24)25)26-17-22-12-14(19)20-8-21-15(12)23(17)7-10-5-3-4-6-11(10)18/h3-6,8-9,13H,7H2,1-2H3,(H,24,25)(H2,19,20,21)