1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1-piperazinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]piperazino]-2,2-dimethyl-propan-1-one Formula: C23H31FN4O MolecularWeight: 398.516843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C(C)(C)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C(C)(C)C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C23H31FN4O/c1-6-20-19(15-17-8-7-9-18(24)14-17)21(26-16(2)25-20)27-10-12-28(13-11-27)22(29)23(3,4)5/h7-9,14H,6,10-13,15H2,1-5H3