1-[3-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propyl]-5-methyl-4-sulfanylidene-pyrimidin-2-one

Systemtic Name: 1-[3-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propyl]-5-methyl-4-sulfanylidene-pyrimidin-2-one Openeye Name: 1-[3-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propyl]-5-methyl-4-thioxo-pyrimidin-2-one CAS Name: 1-[3-[4-[2-tert-butyl-6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl]propyl]-5-methyl-4-sulfanylidene-2-pyrimidinone IUPAC Name: 1-[3-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propyl]-5-methyl-4-sulfanylidenepyrimidin-2-one Traditional Name: 1-[3-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazino]propyl]-5-methyl-4-thioxo-pyrimidin-2-one Formula: C21H29F3N6OS MolecularWeight: 470.55477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=S)CCCN2CCN(CC2)C3=NC(=NC(=C3)C(F)(F)F)C(C)(C)C

Isomeric SMILES

CC1=CN(C(=O)NC1=S)CCCN2CCN(CC2)C3=NC(=NC(=C3)C(F)(F)F)C(C)(C)C

InChI

InChI=1S/C21H29F3N6OS/c1-14-13-30(19(31)27-17(14)32)7-5-6-28-8-10-29(11-9-28)16-12-15(21(22,23)24)25-18(26-16)20(2,3)4/h12-13H,5-11H2,1-4H3,(H,27,31,32)