2-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-isopropylphenyl)-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-oxo-2-(4-propan-2-ylphenyl)ethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(2-keto-2-p-cumenyl-ethyl)thio]-6-propyl-1H-pyrimidin-4-one Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C18H22N2O2S/c1-4-5-15-10-17(22)20-18(19-15)23-11-16(21)14-8-6-13(7-9-14)12(2)3/h6-10,12H,4-5,11H2,1-3H3,(H,19,20,22)