N-[4-[(6-imidazol-1-yl-2-methyl-pyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[(6-imidazol-1-yl-2-methyl-pyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[(6-imidazol-1-yl-2-methyl-pyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[6-(1-imidazolyl)-2-methyl-4-pyrimidinyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[(6-imidazol-1-yl-2-methyl-pyrimidin-4-yl)amino]phenyl]-piperonylamide Formula: C22H18N6O3 MolecularWeight: 414.41672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5C=CN=C5

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5C=CN=C5

InChI

InChI=1S/C22H18N6O3/c1-14-24-20(11-21(25-14)28-9-8-23-12-28)26-16-3-5-17(6-4-16)27-22(29)15-2-7-18-19(10-15)31-13-30-18/h2-12H,13H2,1H3,(H,27,29)(H,24,25,26)