3-butyl-1-ethyl-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 3-butyl-1-ethyl-6-sulfanylidene-7H-purin-2-one Openeye Name: 3-butyl-1-ethyl-6-thioxo-7H-purin-2-one CAS Name: 3-butyl-1-ethyl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 3-butyl-1-ethyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 3-butyl-1-ethyl-6-thioxo-7H-purin-2-one Formula: C11H16N4OS MolecularWeight: 252.33594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4OS/c1-3-5-6-15-9-8(12-7-13-9)10(17)14(4-2)11(15)16/h7H,3-6H2,1-2H3,(H,12,13)