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

Systemtic Name: 8-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(2-indolin-1-yl-2-keto-ethyl)thio]-1,3,7-trimethyl-xanthine Formula: C18H19N5O3S MolecularWeight: 385.44016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H19N5O3S/c1-20-14-15(21(2)18(26)22(3)16(14)25)19-17(20)27-10-13(24)23-9-8-11-6-4-5-7-12(11)23/h4-7H,8-10H2,1-3H3