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

Systemtic Name: 1,3-dibutyl-7-(4-nitrophenyl)sulfonyl-purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(4-nitrophenyl)sulfonyl-purine-2,6-dione CAS Name: 1,3-dibutyl-7-(4-nitrophenyl)sulfonylpurine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(4-nitrophenyl)sulfonylpurine-2,6-dione Traditional Name: 1,3-dibutyl-7-nosyl-xanthine Formula: C19H23N5O6S MolecularWeight: 449.48082

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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)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O6S/c1-3-5-11-21-17-16(18(25)22(19(21)26)12-6-4-2)23(13-20-17)31(29,30)15-9-7-14(8-10-15)24(27)28/h7-10,13H,3-6,11-12H2,1-2H3