9-(4-methoxyphenyl)sulfonyl-3H-purine-2,6-dione

Systemtic Name: 9-(4-methoxyphenyl)sulfonyl-3H-purine-2,6-dione Openeye Name: 9-(4-methoxyphenyl)sulfonyl-3H-purine-2,6-dione CAS Name: 9-(4-methoxyphenyl)sulfonyl-3H-purine-2,6-dione IUPAC Name: 9-(4-methoxyphenyl)sulfonyl-3H-purine-2,6-dione Traditional Name: 9-(4-methoxyphenyl)sulfonylxanthine Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=C2NC(=O)NC3=O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=C2NC(=O)NC3=O

InChI

InChI=1S/C12H10N4O5S/c1-21-7-2-4-8(5-3-7)22(19,20)16-6-13-9-10(16)14-12(18)15-11(9)17/h2-6H,1H3,(H2,14,15,17,18)