2-[4-(1,3-benzodioxol-5-ylmethylamino)butan-2-yl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]ethanoic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)butan-2-yl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]ethanoic acid Openeye Name: 2-[[3-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-propyl]-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]acetic acid CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)butan-2-yl-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]acetic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)butan-2-yl-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]acetic acid Traditional Name: 2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-[1-methyl-3-(piperonylamino)propyl]amino]acetic acid Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N(CC(=O)O)C(C)CCNCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N(CC(=O)O)C(C)CCNCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N6O4/c1-15-9-20(26-22(25-15)27-8-7-24-13-27)28(12-21(29)30)16(2)5-6-23-11-17-3-4-18-19(10-17)32-14-31-18/h3-4,7-10,13,16,23H,5-6,11-12,14H2,1-2H3,(H,29,30)