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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-(4-methyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-(4-methylpyrazol-1-yl)-4-(piperonylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O4/c1-3-26-18(25)14-9-21-19(24-10-12(2)7-22-24)23-17(14)20-8-13-4-5-15-16(6-13)28-11-27-15/h4-7,9-10H,3,8,11H2,1-2H3,(H,20,21,23)