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

Systemtic Name: methyl 4-[[4-(3-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 4-[[4-(3-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[4-(3-methyl-1-phenyl-4-pyrazolyl)-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4-(3-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O2/c1-15-19(14-27(26-15)18-6-4-3-5-7-18)20-12-13-23-22(25-20)24-17-10-8-16(9-11-17)21(28)29-2/h3-14H,1-2H3,(H,23,24,25)