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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-6-(4-imidazol-1-ylphenoxy)-5-phenylmethoxy-pyrimidine Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-benzyloxy-4-chloro-6-(4-imidazol-1-ylphenoxy)pyrimidine CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-[4-(1-imidazolyl)phenoxy]-5-phenylmethoxypyrimidine IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-(4-imidazol-1-ylphenoxy)-5-phenylmethoxypyrimidine Traditional Name: 5-benzoxy-4-chloro-6-(4-imidazol-1-ylphenoxy)-2-piperonyl-pyrimidine Formula: C28H21ClN4O4 MolecularWeight: 512.94374

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=NC(=C(C(=N3)Cl)OCC4=CC=CC=C4)OC5=CC=C(C=C5)N6C=CN=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=NC(=C(C(=N3)Cl)OCC4=CC=CC=C4)OC5=CC=C(C=C5)N6C=CN=C6

InChI

InChI=1S/C28H21ClN4O4/c29-27-26(34-16-19-4-2-1-3-5-19)28(37-22-9-7-21(8-10-22)33-13-12-30-17-33)32-25(31-27)15-20-6-11-23-24(14-20)36-18-35-23/h1-14,17H,15-16,18H2