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

Systemtic Name: 3-butyl-7-methyl-8-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]purine-2,6-dione Openeye Name: 3-butyl-7-methyl-8-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]purine-2,6-dione CAS Name: 3-butyl-7-methyl-8-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-8-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]purine-2,6-dione Traditional Name: 3-butyl-8-[(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl]-7-methyl-xanthine Formula: C20H26N6O5S MolecularWeight: 462.52264

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O5S/c1-3-4-11-26-18-17(19(28)22-20(26)29)23(2)15(21-18)13-24-12-14(7-8-16(24)27)32(30,31)25-9-5-6-10-25/h7-8,12H,3-6,9-11,13H2,1-2H3,(H,22,28,29)