4-(1,3-benzodioxol-5-yloxy)-2-(3-chloranyl-4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-2-(3-chloranyl-4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-2-(3-chloro-4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine CAS Name: 4-(1,3-benzodioxol-5-yloxy)-2-[3-chloro-4-(1-imidazolyl)phenoxy]-6-methylpyrimidine IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-2-(3-chloro-4-imidazol-1-ylphenoxy)-6-methylpyrimidine Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-2-(3-chloro-4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Formula: C21H15ClN4O4 MolecularWeight: 422.8212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)OC2=CC(=C(C=C2)N3C=CN=C3)Cl)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=NC(=N1)OC2=CC(=C(C=C2)N3C=CN=C3)Cl)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H15ClN4O4/c1-13-8-20(29-15-3-5-18-19(10-15)28-12-27-18)25-21(24-13)30-14-2-4-17(16(22)9-14)26-7-6-23-11-26/h2-11H,12H2,1H3