4-(4-chloranylphenoxy)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-(4-chloranylphenoxy)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-chlorophenoxy)-6-[4-(4-pyridylmethyl)piperazin-1-yl]pyrimidine CAS Name: 4-(4-chlorophenoxy)-6-[4-(pyridin-4-ylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-chlorophenoxy)-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine Traditional Name: 4-(4-chlorophenoxy)-6-[4-(4-pyridylmethyl)piperazino]pyrimidine Formula: C20H20ClN5O MolecularWeight: 381.8587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C3=CC(=NC=N3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C3=CC(=NC=N3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN5O/c21-17-1-3-18(4-2-17)27-20-13-19(23-15-24-20)26-11-9-25(10-12-26)14-16-5-7-22-8-6-16/h1-8,13,15H,9-12,14H2