1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[(6-imidazol-1-yl-2-methyl-pyrimidin-4-yl)amino]phenyl]urea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[(6-imidazol-1-yl-2-methyl-pyrimidin-4-yl)amino]phenyl]urea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[(6-imidazol-1-yl-2-methyl-pyrimidin-4-yl)amino]phenyl]urea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[[6-(1-imidazolyl)-2-methyl-4-pyrimidinyl]amino]phenyl]urea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[(6-imidazol-1-yl-2-methyl-pyrimidin-4-yl)amino]phenyl]urea Formula: C23H21N7O3 MolecularWeight: 443.45794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCCO4)N5C=CN=C5

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCCO4)N5C=CN=C5

InChI

InChI=1S/C23H21N7O3/c1-15-25-21(13-22(26-15)30-9-8-24-14-30)27-16-2-4-17(5-3-16)28-23(31)29-18-6-7-19-20(12-18)33-11-10-32-19/h2-9,12-14H,10-11H2,1H3,(H,25,26,27)(H2,28,29,31)