8-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl]thio]-1,3,7-trimethyl-xanthine Formula: C24H23N5O3S MolecularWeight: 461.53612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C24H23N5O3S/c1-26-20-21(27(2)24(32)28(3)22(20)31)25-23(26)33-14-19(30)29-17-10-6-4-8-15(17)12-13-16-9-5-7-11-18(16)29/h4-11H,12-14H2,1-3H3