1-[(2-azanyl-7H-purin-6-yl)sulfanyl]propan-2-one

Systemtic Name: 1-[(2-azanyl-7H-purin-6-yl)sulfanyl]propan-2-one Openeye Name: 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one CAS Name: 1-[(2-amino-7H-purin-6-yl)thio]-2-propanone IUPAC Name: 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one Traditional Name: 1-[(2-amino-7H-purin-6-yl)thio]acetone Formula: C8H9N5OS MolecularWeight: 223.25496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC(=NC2=C1NC=N2)N

Isomeric SMILES

CC(=O)CSC1=NC(=NC2=C1NC=N2)N

InChI

InChI=1S/C8H9N5OS/c1-4(14)2-15-7-5-6(11-3-10-5)12-8(9)13-7/h3H,2H2,1H3,(H3,9,10,11,12,13)