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

Systemtic Name: 8-chloranyl-7-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(1-ethylsulfonylindolin-5-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-(1-esylindolin-5-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C19H20ClN5O5S MolecularWeight: 465.9106

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C19H20ClN5O5S/c1-4-31(29,30)25-8-7-11-9-12(5-6-13(11)25)14(26)10-24-15-16(21-18(24)20)22(2)19(28)23(3)17(15)27/h5-6,9H,4,7-8,10H2,1-3H3