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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(3-methylbutyl)pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-isopentyl-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(3-methylbutyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(3-methylbutyl)pyrimidine-5-carboxamide Traditional Name: N-isoamyl-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCCC(C)C)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCCC(C)C)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H24N4O3/c1-12(2)6-7-20-18(24)15-10-22-19(23-13(15)3)21-9-14-4-5-16-17(8-14)26-11-25-16/h4-5,8,10,12H,6-7,9,11H2,1-3H3,(H,20,24)(H,21,22,23)