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

Systemtic Name: 2-[6-azanyl-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanylpropanoic acid Openeye Name: 2-[6-amino-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanylpropanoic acid CAS Name: 2-[[6-amino-9-[(2-chlorophenyl)methyl]-8-purinyl]thio]propanoic acid IUPAC Name: 2-[6-amino-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanylpropanoic acid Traditional Name: 2-[[6-amino-9-(2-chlorobenzyl)purin-8-yl]thio]propionic acid Formula: C15H14ClN5O2S MolecularWeight: 363.82196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN5O2S/c1-8(14(22)23)24-15-20-11-12(17)18-7-19-13(11)21(15)6-9-4-2-3-5-10(9)16/h2-5,7-8H,6H2,1H3,(H,22,23)(H2,17,18,19)