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

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-benzyl-acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-benzylacetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-benzyl-acetamide Formula: C14H14N6OS MolecularWeight: 314.36556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C14H14N6OS/c15-12-11-13(18-8-17-12)20-14(19-11)22-7-10(21)16-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,16,21)(H3,15,17,18,19,20)