N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-2-(4-imidazol-1-ylphenoxy)-5-methyl-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-2-(4-imidazol-1-ylphenoxy)-5-methyl-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(4-imidazol-1-ylphenoxy)-5-methyl-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-[4-(1-imidazolyl)phenoxy]-5-methyl-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(4-imidazol-1-ylphenoxy)-5-methylpyrimidin-4-amine Traditional Name: [6-chloro-2-(4-imidazol-1-ylphenoxy)-5-methyl-pyrimidin-4-yl]-piperonyl-amine Formula: C22H18ClN5O3 MolecularWeight: 435.86302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1Cl)OC2=CC=C(C=C2)N3C=CN=C3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(N=C(N=C1Cl)OC2=CC=C(C=C2)N3C=CN=C3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18ClN5O3/c1-14-20(23)26-22(31-17-5-3-16(4-6-17)28-9-8-24-12-28)27-21(14)25-11-15-2-7-18-19(10-15)30-13-29-18/h2-10,12H,11,13H2,1H3,(H,25,26,27)