2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethoxyphenyl)-4-methyl-pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethoxyphenyl)-4-methyl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethoxyphenyl)-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethoxyphenyl)-4-methyl-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethoxyphenyl)-4-methylpyrimidine-5-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NC2=CC(=C(C=C2)OC)OC)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NC2=CC(=C(C=C2)OC)OC)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N4O5/c1-13-16(21(27)26-15-5-7-17(28-2)19(9-15)29-3)11-24-22(25-13)23-10-14-4-6-18-20(8-14)31-12-30-18/h4-9,11H,10,12H2,1-3H3,(H,26,27)(H,23,24,25)