1,3-dibutyl-7-(4-tert-butylphenyl)sulfonyl-purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-(4-tert-butylphenyl)sulfonyl-purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(4-tert-butylphenyl)sulfonyl-purine-2,6-dione CAS Name: 1,3-dibutyl-7-(4-tert-butylphenyl)sulfonylpurine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(4-tert-butylphenyl)sulfonylpurine-2,6-dione Traditional Name: 1,3-dibutyl-7-(4-tert-butylphenyl)sulfonyl-xanthine Formula: C23H32N4O4S MolecularWeight: 460.58958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H32N4O4S/c1-6-8-14-25-20-19(21(28)26(22(25)29)15-9-7-2)27(16-24-20)32(30,31)18-12-10-17(11-13-18)23(3,4)5/h10-13,16H,6-9,14-15H2,1-5H3