3-butyl-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 3-butyl-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-butyl-2-thioxo-7H-purin-6-one CAS Name: 3-butyl-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-butyl-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-butyl-2-thioxo-7H-purin-6-one Formula: C9H12N4OS MolecularWeight: 224.28278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=S)NC=N2

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=S)NC=N2

InChI

InChI=1S/C9H12N4OS/c1-2-3-4-13-7-6(10-5-11-7)8(14)12-9(13)15/h5H,2-4H2,1H3,(H,10,11)(H,12,14,15)