2-(6-aminopurin-9-yl)sulfonylbenzoic acid

Systemtic Name: 2-(6-aminopurin-9-yl)sulfonylbenzoic acid Openeye Name: 2-(6-aminopurin-9-yl)sulfonylbenzoic acid CAS Name: 2-(6-aminopurin-9-yl)sulfonylbenzoic acid IUPAC Name: 2-(6-aminopurin-9-yl)sulfonylbenzoic acid Traditional Name: 2-adenin-9-ylsulfonylbenzoic acid Formula: C12H9N5O4S MolecularWeight: 319.29596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C12H9N5O4S/c13-10-9-11(15-5-14-10)17(6-16-9)22(20,21)8-4-2-1-3-7(8)12(18)19/h1-6H,(H,18,19)(H2,13,14,15)