2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-1-hexyl-6-oxidanyl-pyrimidin-4-one

Systemtic Name: 2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-1-hexyl-6-oxidanyl-pyrimidin-4-one Openeye Name: 2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-1-hexyl-6-hydroxy-pyrimidin-4-one CAS Name: 2-[2-(3,4-dimethylphenoxy)ethylthio]-1-hexyl-6-hydroxy-4-pyrimidinone IUPAC Name: 2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-1-hexyl-6-hydroxypyrimidin-4-one Traditional Name: 2-[2-(3,4-dimethylphenoxy)ethylthio]-1-hexyl-6-hydroxy-pyrimidin-4-one Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=CC(=O)N=C1SCCOC2=CC(=C(C=C2)C)C)O

Isomeric SMILES

CCCCCCN1C(=CC(=O)N=C1SCCOC2=CC(=C(C=C2)C)C)O

InChI

InChI=1S/C20H28N2O3S/c1-4-5-6-7-10-22-19(24)14-18(23)21-20(22)26-12-11-25-17-9-8-15(2)16(3)13-17/h8-9,13-14,24H,4-7,10-12H2,1-3H3