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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)-5-(methoxymethyl)pyrimidine Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)-5-(methoxymethyl)pyrimidine CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-(1-imidazolyl)phenoxy]-5-(methoxymethyl)pyrimidine IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)-5-(methoxymethyl)pyrimidine Traditional Name: 4-(4-imidazol-1-ylphenoxy)-5-(methoxymethyl)-2-piperonyl-pyrimidine Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CN=C(N=C1OC2=CC=C(C=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COCC1=CN=C(N=C1OC2=CC=C(C=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H20N4O4/c1-28-13-17-12-25-22(11-16-2-7-20-21(10-16)30-15-29-20)26-23(17)31-19-5-3-18(4-6-19)27-9-8-24-14-27/h2-10,12,14H,11,13,15H2,1H3