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

Systemtic Name: 1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]pyrimidin-2-one Openeye Name: 1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]pyrimidin-2-one CAS Name: 1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl]butyl]-2-pyrimidinone IUPAC Name: 1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]pyrimidin-2-one Traditional Name: 1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazino]butyl]pyrimidin-2-one Formula: C21H29F3N6O MolecularWeight: 438.48977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCCN3C=CC=NC3=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCCN3C=CC=NC3=O)C(F)(F)F

InChI

InChI=1S/C21H29F3N6O/c1-20(2,3)18-26-16(21(22,23)24)15-17(27-18)29-13-11-28(12-14-29)8-4-5-9-30-10-6-7-25-19(30)31/h6-7,10,15H,4-5,8-9,11-14H2,1-3H3