ethyl 4-[[6-(4-ethanoyl-5-methyl-pyrazol-1-yl)-2-methyl-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-(4-ethanoyl-5-methyl-pyrazol-1-yl)-2-methyl-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(4-acetyl-5-methyl-pyrazol-1-yl)-2-methyl-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(4-acetyl-5-methyl-1-pyrazolyl)-2-methyl-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(4-acetyl-5-methylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(4-acetyl-5-methyl-pyrazol-1-yl)-2-methyl-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)N3C(=C(C=N3)C(=O)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)N3C(=C(C=N3)C(=O)C)C)C

InChI

InChI=1S/C20H21N5O3/c1-5-28-20(27)15-6-8-16(9-7-15)24-18-10-19(23-14(4)22-18)25-12(2)17(11-21-25)13(3)26/h6-11H,5H2,1-4H3,(H,22,23,24)