2-[[9-(1-methylsulfanylethyl)purin-6-yl]amino]benzoic acid

Systemtic Name: 2-[[9-(1-methylsulfanylethyl)purin-6-yl]amino]benzoic acid Openeye Name: 2-[[9-(1-methylsulfanylethyl)purin-6-yl]amino]benzoic acid CAS Name: 2-[[9-[1-(methylthio)ethyl]-6-purinyl]amino]benzoic acid IUPAC Name: 2-[[9-(1-methylsulfanylethyl)purin-6-yl]amino]benzoic acid Traditional Name: 2-[[9-[1-(methylthio)ethyl]purin-6-yl]amino]benzoic acid Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)O)SC

Isomeric SMILES

CC(N1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)O)SC

InChI

InChI=1S/C15H15N5O2S/c1-9(23-2)20-8-18-12-13(16-7-17-14(12)20)19-11-6-4-3-5-10(11)15(21)22/h3-9H,1-2H3,(H,21,22)(H,16,17,19)