2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-methyl-pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-methyl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2,4-dimethoxy-phenyl)-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2,4-dimethoxyphenyl)-4-methyl-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2,4-dimethoxyphenyl)-4-methylpyrimidine-5-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C22H21ClN4O5 MolecularWeight: 456.87894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NC2=CC(=C(C=C2OC)OC)Cl)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NC2=CC(=C(C=C2OC)OC)Cl)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21ClN4O5/c1-12-14(21(28)27-16-7-15(23)18(29-2)8-19(16)30-3)10-25-22(26-12)24-9-13-4-5-17-20(6-13)32-11-31-17/h4-8,10H,9,11H2,1-3H3,(H,27,28)(H,24,25,26)