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

Systemtic Name: 5-octadecyl-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-hydroxy-5-octadecyl-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-hydroxy-5-octadecyl-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-hydroxy-5-octadecyl-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-hydroxy-5-stearyl-2-thioxo-1H-pyrimidin-4-one Formula: C22H40N2O2S MolecularWeight: 396.6302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)O

InChI

InChI=1S/C22H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)23-22(27)24-21(19)26/h2-18H2,1H3,(H3,23,24,25,26,27)