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

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[(2-hexyl-2-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[(2-hexyl-2-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-[(2-hexyl-2-methyl-1,3-benzodioxol-5-yl)amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[(2-hexyl-2-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-[(2-hexyl-2-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-5-carboxylic acid ethyl ester Formula: C26H33N5O4 MolecularWeight: 479.57132

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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(=CC(=N4)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O4/c1-6-8-9-10-13-26(5)34-21-12-11-19(15-22(21)35-26)28-23-20(24(32)33-7-2)16-27-25(29-23)31-18(4)14-17(3)30-31/h11-12,14-16H,6-10,13H2,1-5H3,(H,27,28,29)