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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)-5-methoxy-pyrimidine Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)-5-methoxy-pyrimidine CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-(1-imidazolyl)phenoxy]-5-methoxypyrimidine IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)-5-methoxypyrimidine Traditional Name: 4-(4-imidazol-1-ylphenoxy)-5-methoxy-2-piperonyl-pyrimidine Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1OC2=CC=C(C=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CN=C(N=C1OC2=CC=C(C=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N4O4/c1-27-20-12-24-21(11-15-2-7-18-19(10-15)29-14-28-18)25-22(20)30-17-5-3-16(4-6-17)26-9-8-23-13-26/h2-10,12-13H,11,14H2,1H3