5-octyl-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-octyl-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-hydroxy-5-octyl-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-hydroxy-5-octyl-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-hydroxy-5-octyl-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-hydroxy-5-octyl-2-thioxo-1H-pyrimidin-4-one Formula: C12H20N2O2S MolecularWeight: 256.3644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(NC(=S)NC1=O)O

Isomeric SMILES

CCCCCCCCC1=C(NC(=S)NC1=O)O

InChI

InChI=1S/C12H20N2O2S/c1-2-3-4-5-6-7-8-9-10(15)13-12(17)14-11(9)16/h2-8H2,1H3,(H3,13,14,15,16,17)