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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)propyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)propyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]acetamide CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)propyl-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)propyl-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]acetamide Traditional Name: 2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-[3-(piperonylamino)propyl]amino]acetamide Formula: C21H25N7O3 MolecularWeight: 423.4683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N(CCCNCC3=CC4=C(C=C3)OCO4)CC(=O)N

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N(CCCNCC3=CC4=C(C=C3)OCO4)CC(=O)N

InChI

InChI=1S/C21H25N7O3/c1-15-9-20(26-21(25-15)28-8-6-24-13-28)27(12-19(22)29)7-2-5-23-11-16-3-4-17-18(10-16)31-14-30-17/h3-4,6,8-10,13,23H,2,5,7,11-12,14H2,1H3,(H2,22,29)