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

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-2-(4-imidazol-1-ylphenoxy)-5,6-dimethyl-pyrimidine Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-2-(4-imidazol-1-ylphenoxy)-5,6-dimethyl-pyrimidine CAS Name: 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1-imidazolyl)phenoxy]-5,6-dimethylpyrimidine IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-2-(4-imidazol-1-ylphenoxy)-5,6-dimethylpyrimidine Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-2-(4-imidazol-1-ylphenoxy)-5,6-dimethyl-pyrimidine Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1OC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)N5C=CN=C5)C

Isomeric SMILES

CC1=C(N=C(N=C1OC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)N5C=CN=C5)C

InChI

InChI=1S/C22H18N4O4/c1-14-15(2)24-22(30-17-5-3-16(4-6-17)26-10-9-23-12-26)25-21(14)29-18-7-8-19-20(11-18)28-13-27-19/h3-12H,13H2,1-2H3