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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H23N5O3S/c1-12(2)25-16-17(22(3)20(28)23(4)18(16)27)21-19(25)29-11-15(26)24-10-9-13-7-5-6-8-14(13)24/h5-8,12H,9-11H2,1-4H3