methyl 3-[[4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]benzoate

Systemtic Name: methyl 3-[[4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 3-[[4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]benzoate CAS Name: 3-[[4-(5-phenyl-1H-pyrazol-4-yl)-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]benzoate Traditional Name: 3-[[4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O2/c1-28-20(27)15-8-5-9-16(12-15)24-21-22-11-10-18(25-21)17-13-23-26-19(17)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,26)(H,22,24,25)