5-[(4-ethylphenyl)methyl]-2-(3-methylbutylsulfanyl)-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(4-ethylphenyl)methyl]-2-(3-methylbutylsulfanyl)-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(4-ethylphenyl)methyl]-4-hydroxy-2-isopentylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-[(4-ethylphenyl)methyl]-4-hydroxy-2-(3-methylbutylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(4-ethylphenyl)methyl]-4-hydroxy-2-(3-methylbutylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-(4-ethylbenzyl)-4-hydroxy-2-(isoamylthio)-1H-pyrimidin-6-one Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCCC(C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCCC(C)C)O

InChI

InChI=1S/C18H24N2O2S/c1-4-13-5-7-14(8-6-13)11-15-16(21)19-18(20-17(15)22)23-10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H2,19,20,21,22)