5-butyl-2-butylsulfanyl-1-(3,4-dimethylphenyl)-6-oxidanyl-pyrimidin-4-one

Systemtic Name: 5-butyl-2-butylsulfanyl-1-(3,4-dimethylphenyl)-6-oxidanyl-pyrimidin-4-one Openeye Name: 5-butyl-2-butylsulfanyl-1-(3,4-dimethylphenyl)-6-hydroxy-pyrimidin-4-one CAS Name: 5-butyl-2-(butylthio)-1-(3,4-dimethylphenyl)-6-hydroxy-4-pyrimidinone IUPAC Name: 5-butyl-2-butylsulfanyl-1-(3,4-dimethylphenyl)-6-hydroxypyrimidin-4-one Traditional Name: 5-butyl-2-(butylthio)-1-(3,4-dimethylphenyl)-6-hydroxy-pyrimidin-4-one Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCCCC)C2=CC(=C(C=C2)C)C)O

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCCCC)C2=CC(=C(C=C2)C)C)O

InChI

InChI=1S/C20H28N2O2S/c1-5-7-9-17-18(23)21-20(25-12-8-6-2)22(19(17)24)16-11-10-14(3)15(4)13-16/h10-11,13,24H,5-9,12H2,1-4H3