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

Systemtic Name: 8-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[(2-indolin-1-yl-2-keto-ethyl)thio]-1,3-dimethyl-xanthine Formula: C24H23N5O3S MolecularWeight: 461.53612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N3CCC4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N3CCC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C24H23N5O3S/c1-26-21-20(22(31)27(2)24(26)32)29(14-16-8-4-3-5-9-16)23(25-21)33-15-19(30)28-13-12-17-10-6-7-11-18(17)28/h3-11H,12-15H2,1-2H3