ethyl 4-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)amino]-2-(4-methyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(OC2=C(O1)C=C(C=C2)NC3=NC(=NC=C3C(=O)OCC)N4C=C(C=N4)C)C

Isomeric SMILES

CCC1(OC2=C(O1)C=C(C=C2)NC3=NC(=NC=C3C(=O)OCC)N4C=C(C=N4)C)C

InChI

InChI=1S/C21H23N5O4/c1-5-21(4)29-16-8-7-14(9-17(16)30-21)24-18-15(19(27)28-6-2)11-22-20(25-18)26-12-13(3)10-23-26/h7-12H,5-6H2,1-4H3,(H,22,24,25)