6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-pyrimidin-4-one

Systemtic Name: 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-pyrimidin-4-one Openeye Name: 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-3-methyl-pyrimidin-4-one CAS Name: 6-tert-butyl-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-3-methyl-4-pyrimidinone IUPAC Name: 6-tert-butyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-methylpyrimidin-4-one Traditional Name: 6-tert-butyl-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-3-methyl-pyrimidin-4-one Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N(C(=N1)SCC(=O)C2=CC=C(C=C2)OC)C

Isomeric SMILES

CC(C)(C)C1=CC(=O)N(C(=N1)SCC(=O)C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C18H22N2O3S/c1-18(2,3)15-10-16(22)20(4)17(19-15)24-11-14(21)12-6-8-13(23-5)9-7-12/h6-10H,11H2,1-5H3