1,3-dibutyl-7-methylsulfonyl-purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-methylsulfonyl-purine-2,6-dione Openeye Name: 1,3-dibutyl-7-methylsulfonyl-purine-2,6-dione CAS Name: 1,3-dibutyl-7-methylsulfonylpurine-2,6-dione IUPAC Name: 1,3-dibutyl-7-methylsulfonylpurine-2,6-dione Traditional Name: 1,3-dibutyl-7-mesyl-xanthine Formula: C14H22N4O4S MolecularWeight: 342.41388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O4S/c1-4-6-8-16-12-11(18(10-15-12)23(3,21)22)13(19)17(14(16)20)9-7-5-2/h10H,4-9H2,1-3H3