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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(piperonylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC2=CC3=C(C=C2)OCO3)N4C(=CC(=N4)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=CC3=C(C=C2)OCO3)N4C(=CC(=N4)C)C

InChI

InChI=1S/C20H21N5O4/c1-4-27-19(26)15-10-22-20(25-13(3)7-12(2)24-25)23-18(15)21-9-14-5-6-16-17(8-14)29-11-28-16/h5-8,10H,4,9,11H2,1-3H3,(H,21,22,23)