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

Systemtic Name: N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[(4-methyl-6-pyrrolidino-pyrimidin-2-yl)amino]phenyl]-piperonylamide Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCCC5

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCCC5

InChI

InChI=1S/C23H23N5O3/c1-15-12-21(28-10-2-3-11-28)27-23(24-15)26-18-7-5-17(6-8-18)25-22(29)16-4-9-19-20(13-16)31-14-30-19/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,25,29)(H,24,26,27)