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

Systemtic Name: 1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-5-methyl-4-sulfanylidene-pyrimidin-2-one Openeye Name: 1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-5-methyl-4-thioxo-pyrimidin-2-one CAS Name: 1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl]butyl]-5-methyl-4-sulfanylidene-2-pyrimidinone IUPAC Name: 1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-5-methyl-4-sulfanylidenepyrimidin-2-one Traditional Name: 1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazino]butyl]-5-methyl-4-thioxo-pyrimidin-2-one Formula: C22H31F3N6OS MolecularWeight: 484.58135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=S)CCCCN2CCN(CC2)C3=NC(=NC(=C3)C(F)(F)F)C(C)(C)C

Isomeric SMILES

CC1=CN(C(=O)NC1=S)CCCCN2CCN(CC2)C3=NC(=NC(=C3)C(F)(F)F)C(C)(C)C

InChI

InChI=1S/C22H31F3N6OS/c1-15-14-31(20(32)28-18(15)33)8-6-5-7-29-9-11-30(12-10-29)17-13-16(22(23,24)25)26-19(27-17)21(2,3)4/h13-14H,5-12H2,1-4H3,(H,28,32,33)