2-methyl-1-(6-sulfanylidenepurin-8-yl)propan-1-one

Systemtic Name: 2-methyl-1-(6-sulfanylidenepurin-8-yl)propan-1-one Openeye Name: 2-methyl-1-(6-thioxopurin-8-yl)propan-1-one CAS Name: 2-methyl-1-(6-sulfanylidene-8-purinyl)-1-propanone IUPAC Name: 2-methyl-1-(6-sulfanylidenepurin-8-yl)propan-1-one Traditional Name: 2-methyl-1-(6-thioxopurin-8-yl)propan-1-one Formula: C9H8N4OS MolecularWeight: 220.25102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=NC2=NC=NC(=S)C2=N1

Isomeric SMILES

CC(C)C(=O)C1=NC2=NC=NC(=S)C2=N1

InChI

InChI=1S/C9H8N4OS/c1-4(2)6(14)8-12-5-7(13-8)10-3-11-9(5)15/h3-4H,1-2H3