2-[(2R)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(2R)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(1R)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[(1R)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-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)SC(C)C(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)S[C@H](C)C(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C18H22N2O2S/c1-5-6-15-10-16(21)20-18(19-15)23-13(4)17(22)14-8-7-11(2)12(3)9-14/h7-10,13H,5-6H2,1-4H3,(H,19,20,21)/t13-/m1/s1