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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-chloranyl-2-(4-imidazol-1-ylphenoxy)-5-methyl-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-chloro-2-(4-imidazol-1-ylphenoxy)-5-methyl-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-chloro-2-[4-(1-imidazolyl)phenoxy]-5-methyl-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-chloro-2-(4-imidazol-1-ylphenoxy)-5-methylpyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[6-chloro-2-(4-imidazol-1-ylphenoxy)-5-methyl-pyrimidin-4-yl]amine Formula: C21H16ClN5O3 MolecularWeight: 421.83644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1Cl)OC2=CC=C(C=C2)N3C=CN=C3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(N=C(N=C1Cl)OC2=CC=C(C=C2)N3C=CN=C3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H16ClN5O3/c1-13-19(22)25-21(30-16-5-3-15(4-6-16)27-9-8-23-11-27)26-20(13)24-14-2-7-17-18(10-14)29-12-28-17/h2-11H,12H2,1H3,(H,24,25,26)