4-(1,3-benzodioxol-5-ylmethoxy)-6-chloranyl-2-(4-imidazol-1-ylphenoxy)-5-methyl-pyrimidine

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethoxy)-6-chloranyl-2-(4-imidazol-1-ylphenoxy)-5-methyl-pyrimidine Openeye Name: 4-(1,3-benzodioxol-5-ylmethoxy)-6-chloro-2-(4-imidazol-1-ylphenoxy)-5-methyl-pyrimidine CAS Name: 4-(1,3-benzodioxol-5-ylmethoxy)-6-chloro-2-[4-(1-imidazolyl)phenoxy]-5-methylpyrimidine IUPAC Name: 4-(1,3-benzodioxol-5-ylmethoxy)-6-chloro-2-(4-imidazol-1-ylphenoxy)-5-methylpyrimidine Traditional Name: 4-chloro-2-(4-imidazol-1-ylphenoxy)-5-methyl-6-piperonyloxy-pyrimidine Formula: C22H17ClN4O4 MolecularWeight: 436.84778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1Cl)OC2=CC=C(C=C2)N3C=CN=C3)OCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(N=C(N=C1Cl)OC2=CC=C(C=C2)N3C=CN=C3)OCC4=CC5=C(C=C4)OCO5

InChI

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