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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1Cl)OC2=CC=C(C=C2)N3C=CN=C3)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(N=C(N=C1Cl)OC2=CC=C(C=C2)N3C=CN=C3)OC4=CC5=C(C=C4)OCO5

InChI

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