3-butyl-7-(3,4-dimethoxyphenyl)sulfonyl-purine-2,6-dione

Systemtic Name: 3-butyl-7-(3,4-dimethoxyphenyl)sulfonyl-purine-2,6-dione Openeye Name: 3-butyl-7-(3,4-dimethoxyphenyl)sulfonyl-purine-2,6-dione CAS Name: 3-butyl-7-(3,4-dimethoxyphenyl)sulfonylpurine-2,6-dione IUPAC Name: 3-butyl-7-(3,4-dimethoxyphenyl)sulfonylpurine-2,6-dione Traditional Name: 3-butyl-7-(3,4-dimethoxyphenyl)sulfonyl-xanthine Formula: C17H20N4O6S MolecularWeight: 408.4289

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C17H20N4O6S/c1-4-5-8-20-15-14(16(22)19-17(20)23)21(10-18-15)28(24,25)11-6-7-12(26-2)13(9-11)27-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,22,23)