2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NC5=C(N4)C(=NC=N5)N

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NC5=C(N4)C(=NC=N5)N

InChI

InChI=1S/C21H18N6OS/c22-19-18-20(24-12-23-19)26-21(25-18)29-11-17(28)27-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)27/h1-8,12H,9-11H2,(H3,22,23,24,25,26)