5-[1-(2-oxidanylidene-1H-pyridin-4-yl)ethyl]-2-sulfanylidene-1-undecyl-pyrimidin-4-one

Systemtic Name: 5-[1-(2-oxidanylidene-1H-pyridin-4-yl)ethyl]-2-sulfanylidene-1-undecyl-pyrimidin-4-one Openeye Name: 5-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-thioxo-1-undecyl-pyrimidin-4-one CAS Name: 5-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-sulfanylidene-1-undecyl-4-pyrimidinone IUPAC Name: 5-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-sulfanylidene-1-undecylpyrimidin-4-one Traditional Name: 5-[1-(2-keto-1H-pyridin-4-yl)ethyl]-2-thioxo-1-undecyl-pyrimidin-4-one Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1C=C(C(=O)NC1=S)C(C)C2=CC(=O)NC=C2

Isomeric SMILES

CCCCCCCCCCCN1C=C(C(=O)NC1=S)C(C)C2=CC(=O)NC=C2

InChI

InChI=1S/C22H33N3O2S/c1-3-4-5-6-7-8-9-10-11-14-25-16-19(21(27)24-22(25)28)17(2)18-12-13-23-20(26)15-18/h12-13,15-17H,3-11,14H2,1-2H3,(H,23,26)(H,24,27,28)