2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-N-methyl-ethanamide

Systemtic Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-N-methyl-ethanamide Openeye Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-N-methyl-acetamide CAS Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]-N-methylacetamide IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]-N-methylacetamide Traditional Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-N-methyl-acetamide Formula: C23H29N7O3 MolecularWeight: 451.52146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N(CCCNCC3=CC4=C(C=C3)OCCO4)CC(=O)NC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N(CCCNCC3=CC4=C(C=C3)OCCO4)CC(=O)NC

InChI

InChI=1S/C23H29N7O3/c1-17-12-21(28-23(27-17)30-9-7-26-16-30)29(15-22(31)24-2)8-3-6-25-14-18-4-5-19-20(13-18)33-11-10-32-19/h4-5,7,9,12-13,16,25H,3,6,8,10-11,14-15H2,1-2H3,(H,24,31)