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

Systemtic Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]ethanamide Openeye Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]acetamide CAS Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]acetamide IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]acetamide Traditional Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]acetamide Formula: C22H27N7O3 MolecularWeight: 437.49488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N7O3/c1-16-11-21(27-22(26-16)29-8-6-25-15-29)28(14-20(23)30)7-2-5-24-13-17-3-4-18-19(12-17)32-10-9-31-18/h3-4,6,8,11-12,15,24H,2,5,7,9-10,13-14H2,1H3,(H2,23,30)