1,3-dibutyl-7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(3,5-dimethylisoxazol-4-yl)sulfonyl-purine-2,6-dione CAS Name: 1,3-dibutyl-7-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]purine-2,6-dione Traditional Name: 1,3-dibutyl-7-(3,5-dimethylisoxazol-4-yl)sulfonyl-xanthine Formula: C18H25N5O5S MolecularWeight: 423.4866

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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=C(ON=C3C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C18H25N5O5S/c1-5-7-9-21-16-14(17(24)22(18(21)25)10-8-6-2)23(11-19-16)29(26,27)15-12(3)20-28-13(15)4/h11H,5-10H2,1-4H3