2-(5-hexyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethanamide

Systemtic Name: 2-(5-hexyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethanamide Openeye Name: 2-(5-hexyl-6-hydroxy-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylacetamide CAS Name: 2-[(5-hexyl-6-hydroxy-4-oxo-1-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: 2-(5-hexyl-6-hydroxy-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(5-hexyl-6-hydroxy-4-keto-1-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C(=NC1=O)SCC(=O)N)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCC1=C(N(C(=NC1=O)SCC(=O)N)C2=CC=CC=C2)O

InChI

InChI=1S/C18H23N3O3S/c1-2-3-4-8-11-14-16(23)20-18(25-12-15(19)22)21(17(14)24)13-9-6-5-7-10-13/h5-7,9-10,24H,2-4,8,11-12H2,1H3,(H2,19,22)