4-[(4-tert-butylphenyl)methylsulfanyl]-5-ethanoyl-6-methyl-1H-pyrimidin-2-one

Systemtic Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-5-ethanoyl-6-methyl-1H-pyrimidin-2-one Openeye Name: 5-acetyl-4-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one CAS Name: 5-acetyl-4-[(4-tert-butylphenyl)methylthio]-6-methyl-1H-pyrimidin-2-one IUPAC Name: 5-acetyl-4-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one Traditional Name: 5-acetyl-4-[(4-tert-butylbenzyl)thio]-6-methyl-1H-pyrimidin-2-one Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=CC=C(C=C2)C(C)(C)C)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=CC=C(C=C2)C(C)(C)C)C(=O)C

InChI

InChI=1S/C18H22N2O2S/c1-11-15(12(2)21)16(20-17(22)19-11)23-10-13-6-8-14(9-7-13)18(3,4)5/h6-9H,10H2,1-5H3,(H,19,20,22)