8-pentyl-3-propyl-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 8-pentyl-3-propyl-6-sulfanylidene-7H-purin-2-one Openeye Name: 8-pentyl-3-propyl-6-thioxo-7H-purin-2-one CAS Name: 8-pentyl-3-propyl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 8-pentyl-3-propyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 8-amyl-3-propyl-6-thioxo-7H-purin-2-one Formula: C13H20N4OS MolecularWeight: 280.3891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(N1)C(=S)NC(=O)N2CCC

Isomeric SMILES

CCCCCC1=NC2=C(N1)C(=S)NC(=O)N2CCC

InChI

InChI=1S/C13H20N4OS/c1-3-5-6-7-9-14-10-11(15-9)17(8-4-2)13(18)16-12(10)19/h3-8H2,1-2H3,(H,14,15)(H,16,18,19)