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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-6-(4-imidazol-1-ylphenoxy)pyrimidine Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-(4-imidazol-1-ylphenoxy)pyrimidine CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-[4-(1-imidazolyl)phenoxy]pyrimidine IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-(4-imidazol-1-ylphenoxy)pyrimidine Traditional Name: 4-chloro-6-(4-imidazol-1-ylphenoxy)-2-piperonyl-pyrimidine Formula: C21H15ClN4O3 MolecularWeight: 406.8218

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=NC(=CC(=N3)Cl)OC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=NC(=CC(=N3)Cl)OC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C21H15ClN4O3/c22-19-11-21(29-16-4-2-15(3-5-16)26-8-7-23-12-26)25-20(24-19)10-14-1-6-17-18(9-14)28-13-27-17/h1-9,11-12H,10,13H2