3-(7H-purin-6-ylsulfanyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 3-(7H-purin-6-ylsulfanyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-(7H-purin-6-ylsulfanyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-(7H-purin-6-ylthio)-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-(7H-purin-6-ylsulfanyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-(7H-purin-6-ylthio)-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C15H13N5OS MolecularWeight: 311.36162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C15H13N5OS/c21-14-11(6-5-9-3-1-2-4-10(9)20-14)22-15-12-13(17-7-16-12)18-8-19-15/h1-4,7-8,11H,5-6H2,(H,20,21)(H,16,17,18,19)