8-(2-methoxy-4-methylsulfonyl-phenyl)purine-2,6-dione

Systemtic Name: 8-(2-methoxy-4-methylsulfonyl-phenyl)purine-2,6-dione Openeye Name: 8-(2-methoxy-4-methylsulfonyl-phenyl)purine-2,6-dione CAS Name: 8-(2-methoxy-4-methylsulfonylphenyl)purine-2,6-dione IUPAC Name: 8-(2-methoxy-4-methylsulfonylphenyl)purine-2,6-dione Traditional Name: 8-(4-mesyl-2-methoxy-phenyl)xanthine Formula: C13H10N4O5S MolecularWeight: 334.3073

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)C)C2=NC3=NC(=O)NC(=O)C3=N2

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)C)C2=NC3=NC(=O)NC(=O)C3=N2

InChI

InChI=1S/C13H10N4O5S/c1-22-8-5-6(23(2,20)21)3-4-7(8)10-14-9-11(15-10)16-13(19)17-12(9)18/h3-5H,1-2H3,(H,17,18,19)