2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C21H28N2O3S/c1-12-8-17(25)23-19(22-12)27-11-16(24)13-9-14(20(2,3)4)18(26)15(10-13)21(5,6)7/h8-10,26H,11H2,1-7H3,(H,22,23,25)