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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-6-(4-imidazol-1-ylphenoxy)-5-(methoxymethyl)pyrimidine Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-(4-imidazol-1-ylphenoxy)-5-(methoxymethyl)pyrimidine CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-[4-(1-imidazolyl)phenoxy]-5-(methoxymethyl)pyrimidine IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-(4-imidazol-1-ylphenoxy)-5-(methoxymethyl)pyrimidine Traditional Name: 4-chloro-6-(4-imidazol-1-ylphenoxy)-5-(methoxymethyl)-2-piperonyl-pyrimidine Formula: C23H19ClN4O4 MolecularWeight: 450.87436

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(N=C(N=C1Cl)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

COCC1=C(N=C(N=C1Cl)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C23H19ClN4O4/c1-29-12-18-22(24)26-21(11-15-2-7-19-20(10-15)31-14-30-19)27-23(18)32-17-5-3-16(4-6-17)28-9-8-25-13-28/h2-10,13H,11-12,14H2,1H3