ethyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-methylpyrimidine-5-carboxylate Traditional Name: 4-methyl-2-(piperonylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17N3O4/c1-3-21-15(20)12-8-18-16(19-10(12)2)17-7-11-4-5-13-14(6-11)23-9-22-13/h4-6,8H,3,7,9H2,1-2H3,(H,17,18,19)