8-(2-methoxy-4-methylsulfonyl-phenyl)-3,7-dihydropurin-6-one

Systemtic Name: 8-(2-methoxy-4-methylsulfonyl-phenyl)-3,7-dihydropurin-6-one Openeye Name: 8-(2-methoxy-4-methylsulfonyl-phenyl)-3,7-dihydropurin-6-one CAS Name: 8-(2-methoxy-4-methylsulfonylphenyl)-3,7-dihydropurin-6-one IUPAC Name: 8-(2-methoxy-4-methylsulfonylphenyl)-3,7-dihydropurin-6-one Traditional Name: 8-(4-mesyl-2-methoxy-phenyl)-3,7-dihydropurin-6-one Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)C)C2=NC3=C(N2)C(=O)N=CN3

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)C)C2=NC3=C(N2)C(=O)N=CN3

InChI

InChI=1S/C13H12N4O4S/c1-21-9-5-7(22(2,19)20)3-4-8(9)11-16-10-12(17-11)14-6-15-13(10)18/h3-6H,1-2H3,(H2,14,15,16,17,18)