2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-5-isopentyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-5-isoamyl-6-methyl-1H-pyrimidin-4-one Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=C(C=CC(=C2)C(=O)C)OC)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=C(C=CC(=C2)C(=O)C)OC)CCC(C)C

InChI

InChI=1S/C20H26N2O3S/c1-12(2)6-8-17-13(3)21-20(22-19(17)24)26-11-16-10-15(14(4)23)7-9-18(16)25-5/h7,9-10,12H,6,8,11H2,1-5H3,(H,21,22,24)