2-[(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(1R)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[(1R)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C20H26N2O2S MolecularWeight: 358.49764

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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)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2S/c1-6-7-16-12-17(23)22-19(21-16)25-13(2)18(24)14-8-10-15(11-9-14)20(3,4)5/h8-13H,6-7H2,1-5H3,(H,21,22,23)/t13-/m1/s1