2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N,N-diphenyl-ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N,N-diphenyl-ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N,N-diphenyl-acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N,N-diphenylacetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N,N-diphenylacetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N,N-diphenyl-acetamide Formula: C19H16N6OS MolecularWeight: 376.43494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C19H16N6OS/c20-17-16-18(22-12-21-17)24-19(23-16)27-11-15(26)25(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12H,11H2,(H3,20,21,22,23,24)