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

Systemtic Name: 5-[(4-ethylphenyl)methyl]-2-(2-methylpropylsulfanyl)-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(4-ethylphenyl)methyl]-4-hydroxy-2-isobutylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-[(4-ethylphenyl)methyl]-4-hydroxy-2-(2-methylpropylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(4-ethylphenyl)methyl]-4-hydroxy-2-(2-methylpropylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-(4-ethylbenzyl)-4-hydroxy-2-(isobutylthio)-1H-pyrimidin-6-one Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2S/c1-4-12-5-7-13(8-6-12)9-14-15(20)18-17(19-16(14)21)22-10-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,18,19,20,21)