1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-2-(7H-purin-6-ylsulfanyl)ethanone

Systemtic Name: 1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-2-(7H-purin-6-ylthio)ethanone Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CN(C3=CC=CC=C31)C(=O)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1C2=CC=CC=C2CN(C3=CC=CC=C31)C(=O)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C21H17N5OS/c27-18(11-28-21-19-20(23-12-22-19)24-13-25-21)26-10-16-7-2-1-5-14(16)9-15-6-3-4-8-17(15)26/h1-8,12-13H,9-11H2,(H,22,23,24,25)