2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methylpyrimidine-5-carboxylic acid Traditional Name: 4-methyl-2-(piperonylamino)pyrimidine-5-carboxylic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4/c1-8-10(13(18)19)6-16-14(17-8)15-5-9-2-3-11-12(4-9)21-7-20-11/h2-4,6H,5,7H2,1H3,(H,18,19)(H,15,16,17)