5-heptyl-6-(methoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-heptyl-6-(methoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-heptyl-6-(methoxymethyl)-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-heptyl-6-(methoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-heptyl-6-(methoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-heptyl-6-(methoxymethyl)-2-thioxo-1H-pyrimidin-4-one Formula: C13H22N2O2S MolecularWeight: 270.39098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(NC(=S)NC1=O)COC

Isomeric SMILES

CCCCCCCC1=C(NC(=S)NC1=O)COC

InChI

InChI=1S/C13H22N2O2S/c1-3-4-5-6-7-8-10-11(9-17-2)14-13(18)15-12(10)16/h3-9H2,1-2H3,(H2,14,15,16,18)