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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

InChI

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