1,3-dibutyl-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 1,3-dibutyl-6-sulfanylidene-7H-purin-2-one Openeye Name: 1,3-dibutyl-6-thioxo-7H-purin-2-one CAS Name: 1,3-dibutyl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 1,3-dibutyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 1,3-dibutyl-6-thioxo-7H-purin-2-one Formula: C13H20N4OS MolecularWeight: 280.3891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=S)N(C1=O)CCCC)NC=N2

Isomeric SMILES

CCCCN1C2=C(C(=S)N(C1=O)CCCC)NC=N2

InChI

InChI=1S/C13H20N4OS/c1-3-5-7-16-11-10(14-9-15-11)12(19)17(13(16)18)8-6-4-2/h9H,3-8H2,1-2H3,(H,14,15)