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

Systemtic Name: ethyl 4-[(2-hexyl-2-methyl-1,3-benzodioxol-5-yl)amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(2-hexyl-2-methyl-1,3-benzodioxol-5-yl)amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-[(2-hexyl-2-methyl-1,3-benzodioxol-5-yl)amino]-2-(4-methyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-hexyl-2-methyl-1,3-benzodioxol-5-yl)amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-[(2-hexyl-2-methyl-1,3-benzodioxol-5-yl)amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(OC2=C(O1)C=C(C=C2)NC3=NC(=NC=C3C(=O)OCC)N4C=C(C=N4)C)C

Isomeric SMILES

CCCCCCC1(OC2=C(O1)C=C(C=C2)NC3=NC(=NC=C3C(=O)OCC)N4C=C(C=N4)C)C

InChI

InChI=1S/C25H31N5O4/c1-5-7-8-9-12-25(4)33-20-11-10-18(13-21(20)34-25)28-22-19(23(31)32-6-2)15-26-24(29-22)30-16-17(3)14-27-30/h10-11,13-16H,5-9,12H2,1-4H3,(H,26,28,29)