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

Systemtic Name: 7-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1-ethylsulfonylindolin-5-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(1-esylindolin-5-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C19H21N5O5S MolecularWeight: 431.46554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H21N5O5S/c1-4-30(28,29)24-8-7-12-9-13(5-6-14(12)24)15(25)10-23-11-20-17-16(23)18(26)22(3)19(27)21(17)2/h5-6,9,11H,4,7-8,10H2,1-3H3