2-[2-(1,3-benzodioxol-5-ylmethylamino)ethanoylamino]-2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-methyl-ethanamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)ethanoylamino]-2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-methyl-ethanamide Openeye Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)acetyl]amino]-2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-methyl-acetamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-1-oxoethyl]amino]-2-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-N-methylacetamide IUPAC Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)acetyl]amino]-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-methylacetamide Traditional Name: 2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-methyl-2-[[2-(piperonylamino)acetyl]amino]acetamide Formula: C21H23N7O4 MolecularWeight: 437.45182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)C(C(=O)NC)NC(=O)CNCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)C(C(=O)NC)NC(=O)CNCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N7O4/c1-13-7-15(26-21(25-13)28-6-5-23-11-28)19(20(30)22-2)27-18(29)10-24-9-14-3-4-16-17(8-14)32-12-31-16/h3-8,11,19,24H,9-10,12H2,1-2H3,(H,22,30)(H,27,29)