8-ethyl-3-(2-methylbutyl)-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 8-ethyl-3-(2-methylbutyl)-6-sulfanylidene-7H-purin-2-one Openeye Name: 8-ethyl-3-(2-methylbutyl)-6-thioxo-7H-purin-2-one CAS Name: 8-ethyl-3-(2-methylbutyl)-6-sulfanylidene-7H-purin-2-one IUPAC Name: 8-ethyl-3-(2-methylbutyl)-6-sulfanylidene-7H-purin-2-one Traditional Name: 8-ethyl-3-(2-methylbutyl)-6-thioxo-7H-purin-2-one Formula: C12H18N4OS MolecularWeight: 266.36252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=S)NC(=O)N2CC(C)CC

Isomeric SMILES

CCC1=NC2=C(N1)C(=S)NC(=O)N2CC(C)CC

InChI

InChI=1S/C12H18N4OS/c1-4-7(3)6-16-10-9(11(18)15-12(16)17)13-8(5-2)14-10/h7H,4-6H2,1-3H3,(H,13,14)(H,15,17,18)