2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-tert-butylphenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(4-tert-butylphenyl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(4-tert-butylphenyl)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C17H20N2O2S MolecularWeight: 316.4179

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S/c1-11-9-15(21)19-16(18-11)22-10-14(20)12-5-7-13(8-6-12)17(2,3)4/h5-9H,10H2,1-4H3,(H,18,19,21)