(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C23H28N4O4S/c1-23(2,3)19(28)15-31-21(30)17-7-4-5-8-18(17)32-16-20(29)26-11-13-27(14-12-26)22-24-9-6-10-25-22/h4-10H,11-16H2,1-3H3