2-[(2,5-dimethylphenyl)methyl]-4-oxidanyl-5-(2-pentylsulfanylethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methyl]-4-oxidanyl-5-(2-pentylsulfanylethyl)-1H-pyrimidin-6-one Openeye Name: 2-[(2,5-dimethylphenyl)methyl]-4-hydroxy-5-(2-pentylsulfanylethyl)-1H-pyrimidin-6-one CAS Name: 2-[(2,5-dimethylphenyl)methyl]-4-hydroxy-5-[2-(pentylthio)ethyl]-1H-pyrimidin-6-one IUPAC Name: 2-[(2,5-dimethylphenyl)methyl]-4-hydroxy-5-(2-pentylsulfanylethyl)-1H-pyrimidin-6-one Traditional Name: 5-[2-(amylthio)ethyl]-2-(2,5-dimethylbenzyl)-4-hydroxy-1H-pyrimidin-6-one Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCCC1=C(N=C(NC1=O)CC2=C(C=CC(=C2)C)C)O

Isomeric SMILES

CCCCCSCCC1=C(N=C(NC1=O)CC2=C(C=CC(=C2)C)C)O

InChI

InChI=1S/C20H28N2O2S/c1-4-5-6-10-25-11-9-17-19(23)21-18(22-20(17)24)13-16-12-14(2)7-8-15(16)3/h7-8,12H,4-6,9-11,13H2,1-3H3,(H2,21,22,23,24)