1,3-dibutyl-7-[4-(oxidanylamino)phenyl]sulfonyl-purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-[4-(oxidanylamino)phenyl]sulfonyl-purine-2,6-dione Openeye Name: 1,3-dibutyl-7-[4-(hydroxyamino)phenyl]sulfonyl-purine-2,6-dione CAS Name: 1,3-dibutyl-7-[4-(hydroxyamino)phenyl]sulfonylpurine-2,6-dione IUPAC Name: 1,3-dibutyl-7-[4-(hydroxyamino)phenyl]sulfonylpurine-2,6-dione Traditional Name: 1,3-dibutyl-7-[4-(hydroxyamino)phenyl]sulfonyl-xanthine Formula: C19H25N5O5S MolecularWeight: 435.4973

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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)NO

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)C3=CC=C(C=C3)NO

InChI

InChI=1S/C19H25N5O5S/c1-3-5-11-22-17-16(18(25)23(19(22)26)12-6-4-2)24(13-20-17)30(28,29)15-9-7-14(21-27)8-10-15/h7-10,13,21,27H,3-6,11-12H2,1-2H3