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

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

Systemtic Name:1,3-dibutyl-7-(3-nitrophenyl)sulfonyl-purine-2,6-dione
Openeye Name:1,3-dibutyl-7-(3-nitrophenyl)sulfonyl-purine-2,6-dione
CAS Name:1,3-dibutyl-7-(3-nitrophenyl)sulfonylpurine-2,6-dione
IUPAC Name:1,3-dibutyl-7-(3-nitrophenyl)sulfonylpurine-2,6-dione
Traditional Name:1,3-dibutyl-7-(3-nitrophenyl)sulfonyl-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=CC(=C3)[N+](=O)[O-]


Isomeric SMILES

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


InChI

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


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