1,3-dimethyl-7-[2-oxidanylidene-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-dimethyl-xanthine Formula: C22H26N6O5S MolecularWeight: 486.54404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCCC4=C3C=CC(=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCCC4=C3C=CC(=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C22H26N6O5S/c1-24-20-19(21(30)25(2)22(24)31)26(14-23-20)13-18(29)28-11-5-6-15-12-16(7-8-17(15)28)34(32,33)27-9-3-4-10-27/h7-8,12,14H,3-6,9-11,13H2,1-2H3