1-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O2S/c1-11-16(12(2)24)17(23-19(26)22-11)13-9-14(20(3,4)5)18(25)15(10-13)21(6,7)8/h9-10,17,25H,1-8H3,(H2,22,23,26)