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

Systemtic Name: 1,3-dimethyl-7-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(1-methylsulfonylindolin-5-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(1-mesylindolin-5-yl)ethyl]-1,3-dimethyl-xanthine Formula: C18H19N5O5S MolecularWeight: 417.43896

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)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C

InChI

InChI=1S/C18H19N5O5S/c1-20-16-15(17(25)21(2)18(20)26)22(10-19-16)9-14(24)12-4-5-13-11(8-12)6-7-23(13)29(3,27)28/h4-5,8,10H,6-7,9H2,1-3H3