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

Systemtic Name: methyl 3-[[4-(3-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 3-[[4-(3-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzoate CAS Name: 3-[[4-(3-methyl-1-phenyl-4-pyrazolyl)-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]benzoate Traditional Name: 3-[[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=CC(=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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