4-[[6-[(4-fluorophenyl)methylsulfanyl]-5H-purin-8-yl]diazenyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[6-[(4-fluorophenyl)methylsulfanyl]-5H-purin-8-yl]diazenyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[[6-[(4-fluorophenyl)methylsulfanyl]-5H-purin-8-yl]azo]-2-hydroxy-benzoic acid CAS Name: 4-[[6-[(4-fluorophenyl)methylthio]-5H-purin-8-yl]azo]-2-hydroxybenzoic acid IUPAC Name: 4-[[6-[(4-fluorophenyl)methylsulfanyl]-5H-purin-8-yl]diazenyl]-2-hydroxybenzoic acid Traditional Name: 4-[[6-[(4-fluorobenzyl)thio]-5H-purin-8-yl]azo]-2-hydroxy-benzoic acid Formula: C19H13FN6O3S MolecularWeight: 424.408323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NC3=NC(=NC32)N=NC4=CC(=C(C=C4)C(=O)O)O)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NC3=NC(=NC32)N=NC4=CC(=C(C=C4)C(=O)O)O)F

InChI

InChI=1S/C19H13FN6O3S/c20-11-3-1-10(2-4-11)8-30-17-15-16(21-9-22-17)24-19(23-15)26-25-12-5-6-13(18(28)29)14(27)7-12/h1-7,9,15,27H,8H2,(H,28,29)