7-ethyl-1,3-dimethyl-8-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]sulfanyl-purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thio]purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylpurine-2,6-dione Traditional Name: 7-ethyl-8-[[2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl]thio]-1,3-dimethyl-xanthine Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)N3C(CC4=CC=CC=C43)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)N3[C@H](CC4=CC=CC=C43)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H23N5O3S/c1-5-24-16-17(22(3)20(28)23(4)18(16)27)21-19(24)29-11-15(26)25-12(2)10-13-8-6-7-9-14(13)25/h6-9,12H,5,10-11H2,1-4H3/t12-/m0/s1