ethyl 4-[[4-fluoranyl-3-[[(2-methylpyrimidin-5-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[4-fluoranyl-3-[[(2-methylpyrimidin-5-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-fluoro-3-[[(2-methylpyrimidin-5-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-fluoro-3-[[[[(2-methyl-5-pyrimidinyl)amino]-oxomethyl]amino]methyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-fluoro-3-[[(2-methylpyrimidin-5-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-fluoro-3-[[(2-methylpyrimidin-5-yl)carbamoylamino]methyl]benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27FN6O3 MolecularWeight: 430.475883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)F)CNC(=O)NC3=CN=C(N=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)F)CNC(=O)NC3=CN=C(N=C3)C

InChI

InChI=1S/C21H27FN6O3/c1-3-31-21(30)28-8-6-27(7-9-28)14-16-4-5-19(22)17(10-16)11-25-20(29)26-18-12-23-15(2)24-13-18/h4-5,10,12-13H,3,6-9,11,14H2,1-2H3,(H2,25,26,29)