2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-N,N-diethyl-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,N-diethyl-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,N-diethyl-acetamide CAS Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]-N,N-diethylacetamide IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]-N,N-diethylacetamide Traditional Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-N,N-diethyl-acetamide Formula: C26H35N7O3 MolecularWeight: 493.6012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN(CCCNCC1=CC2=C(C=C1)OCCO2)C3=NC(=NC(=C3)C)N4C=CN=C4

Isomeric SMILES

CCN(CC)C(=O)CN(CCCNCC1=CC2=C(C=C1)OCCO2)C3=NC(=NC(=C3)C)N4C=CN=C4

InChI

InChI=1S/C26H35N7O3/c1-4-31(5-2)25(34)18-32(24-15-20(3)29-26(30-24)33-12-10-28-19-33)11-6-9-27-17-21-7-8-22-23(16-21)36-14-13-35-22/h7-8,10,12,15-16,19,27H,4-6,9,11,13-14,17-18H2,1-3H3