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

Systemtic Name: N-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[(2-methyl-6-propoxy-4-pyrimidinyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]-piperonylamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC(=C1)NC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCCOC1=NC(=NC(=C1)NC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H22N4O4/c1-3-10-28-21-12-20(23-14(2)24-21)25-16-5-7-17(8-6-16)26-22(27)15-4-9-18-19(11-15)30-13-29-18/h4-9,11-12H,3,10,13H2,1-2H3,(H,26,27)(H,23,24,25)