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

Systemtic Name: N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-piperonylamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3/c1-13-10-19(26(2)3)25-21(22-13)24-16-7-5-15(6-8-16)23-20(27)14-4-9-17-18(11-14)29-12-28-17/h4-11H,12H2,1-3H3,(H,23,27)(H,22,24,25)