2-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(furan-2-yl)propyl]-4-methyl-pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(furan-2-yl)propyl]-4-methyl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(2-furyl)propyl]-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(2-furanyl)propyl]-4-methyl-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(furan-2-yl)propyl]-4-methylpyrimidine-5-carboxamide Traditional Name: N-[3-(2-furyl)propyl]-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCCCC2=CC=CO2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCCCC2=CC=CO2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O4/c1-14-17(20(26)22-8-2-4-16-5-3-9-27-16)12-24-21(25-14)23-11-15-6-7-18-19(10-15)29-13-28-18/h3,5-7,9-10,12H,2,4,8,11,13H2,1H3,(H,22,26)(H,23,24,25)