2-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-6-(4-imidazol-1-ylphenoxy)-5-methoxy-pyrimidine

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-6-(4-imidazol-1-ylphenoxy)-5-methoxy-pyrimidine Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-(4-imidazol-1-ylphenoxy)-5-methoxy-pyrimidine CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-[4-(1-imidazolyl)phenoxy]-5-methoxypyrimidine IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-(4-imidazol-1-ylphenoxy)-5-methoxypyrimidine Traditional Name: 4-chloro-6-(4-imidazol-1-ylphenoxy)-5-methoxy-2-piperonyl-pyrimidine Formula: C22H17ClN4O4 MolecularWeight: 436.84778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(N=C1Cl)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

COC1=C(N=C(N=C1Cl)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C22H17ClN4O4/c1-28-20-21(23)25-19(11-14-2-7-17-18(10-14)30-13-29-17)26-22(20)31-16-5-3-15(4-6-16)27-9-8-24-12-27/h2-10,12H,11,13H2,1H3