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

Systemtic Name: 5-[(4-ethylphenyl)methyl]-6-methyl-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[(4-ethylphenyl)methyl]-2-isobutylsulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-ethylphenyl)methyl]-6-methyl-2-(2-methylpropylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(4-ethylphenyl)methyl]-6-methyl-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-(4-ethylbenzyl)-2-(isobutylthio)-6-methyl-1H-pyrimidin-4-one Formula: C18H24N2OS MolecularWeight: 316.46096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2OS/c1-5-14-6-8-15(9-7-14)10-16-13(4)19-18(20-17(16)21)22-11-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,19,20,21)