2-oxidanyl-4-[5-[6-(phenylmethylsulfanyl)purin-9-yl]pentanoylamino]benzoic acid

Systemtic Name: 2-oxidanyl-4-[5-[6-(phenylmethylsulfanyl)purin-9-yl]pentanoylamino]benzoic acid Openeye Name: 4-[5-(6-benzylsulfanylpurin-9-yl)pentanoylamino]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-4-[[1-oxo-5-[6-(phenylmethylthio)-9-purinyl]pentyl]amino]benzoic acid IUPAC Name: 4-[5-(6-benzylsulfanylpurin-9-yl)pentanoylamino]-2-hydroxybenzoic acid Traditional Name: 4-[5-[6-(benzylthio)purin-9-yl]pentanoylamino]-2-hydroxy-benzoic acid Formula: C24H23N5O4S MolecularWeight: 477.53552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3CCCCC(=O)NC4=CC(=C(C=C4)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3CCCCC(=O)NC4=CC(=C(C=C4)C(=O)O)O

InChI

InChI=1S/C24H23N5O4S/c30-19-12-17(9-10-18(19)24(32)33)28-20(31)8-4-5-11-29-15-27-21-22(29)25-14-26-23(21)34-13-16-6-2-1-3-7-16/h1-3,6-7,9-10,12,14-15,30H,4-5,8,11,13H2,(H,28,31)(H,32,33)