3,8-diethynyl-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 3,8-diethynyl-6-sulfanylidene-7H-purin-2-one Openeye Name: 3,8-diethynyl-6-thioxo-7H-purin-2-one CAS Name: 3,8-diethynyl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 3,8-diethynyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 3,8-diethynyl-6-thioxo-7H-purin-2-one Formula: C9H4N4OS MolecularWeight: 216.21926

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=NC2=C(N1)C(=S)NC(=O)N2C#C

Isomeric SMILES

C#CC1=NC2=C(N1)C(=S)NC(=O)N2C#C

InChI

InChI=1S/C9H4N4OS/c1-3-5-10-6-7(11-5)13(4-2)9(14)12-8(6)15/h1-2H,(H,10,11)(H,12,14,15)