1,3-dimethyl-7-[2-oxidanylidene-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-[5-(1-piperidylsulfonyl)indolin-1-yl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-[5-(1-piperidinylsulfonyl)-2,3-dihydroindol-1-yl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(5-piperidinosulfonylindolin-1-yl)ethyl]-1,3-dimethyl-xanthine Formula: C22H26N6O5S MolecularWeight: 486.54404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCC4=C3C=CC(=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCC4=C3C=CC(=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C22H26N6O5S/c1-24-20-19(21(30)25(2)22(24)31)26(14-23-20)13-18(29)28-11-8-15-12-16(6-7-17(15)28)34(32,33)27-9-4-3-5-10-27/h6-7,12,14H,3-5,8-11,13H2,1-2H3