3-butyl-8-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-[(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl]-7-propyl-xanthine Formula: C22H30N6O5S MolecularWeight: 490.5758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C=C(C=CC3=O)S(=O)(=O)N4CCCC4)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C=C(C=CC3=O)S(=O)(=O)N4CCCC4)CCC

InChI

InChI=1S/C22H30N6O5S/c1-3-5-13-28-20-19(21(30)24-22(28)31)27(10-4-2)17(23-20)15-25-14-16(8-9-18(25)29)34(32,33)26-11-6-7-12-26/h8-9,14H,3-7,10-13,15H2,1-2H3,(H,24,30,31)