2-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]ethanamide

Systemtic Name: 2-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]ethanamide Openeye Name: 2-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]acetamide CAS Name: 2-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propyl-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]acetamide IUPAC Name: 2-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propyl-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]acetamide Traditional Name: 2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-[3-[methyl(piperonyl)amino]propyl]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(CCCN(C)CC3=CC4=C(C=C3)OCO4)CC(=O)N

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N(CCCN(C)CC3=CC4=C(C=C3)OCO4)CC(=O)N

InChI

InChI=1S/C22H27N7O3/c1-16-10-21(26-22(25-16)29-9-6-24-14-29)28(13-20(23)30)8-3-7-27(2)12-17-4-5-18-19(11-17)32-15-31-18/h4-6,9-11,14H,3,7-8,12-13,15H2,1-2H3,(H2,23,30)