4-(2-fluoranylphenoxy)-6-[3-methyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-(2-fluoranylphenoxy)-6-[3-methyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(2-fluorophenoxy)-6-[3-methyl-4-(4-pyridylmethyl)piperazin-1-yl]pyrimidine CAS Name: 4-(2-fluorophenoxy)-6-[3-methyl-4-(pyridin-4-ylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(2-fluorophenoxy)-6-[3-methyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine Traditional Name: 4-(2-fluorophenoxy)-6-[3-methyl-4-(4-pyridylmethyl)piperazino]pyrimidine Formula: C21H22FN5O MolecularWeight: 379.430683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC2=CC=NC=C2)C3=CC(=NC=N3)OC4=CC=CC=C4F

Isomeric SMILES

CC1CN(CCN1CC2=CC=NC=C2)C3=CC(=NC=N3)OC4=CC=CC=C4F

InChI

InChI=1S/C21H22FN5O/c1-16-13-27(11-10-26(16)14-17-6-8-23-9-7-17)20-12-21(25-15-24-20)28-19-5-3-2-4-18(19)22/h2-9,12,15-16H,10-11,13-14H2,1H3