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

Systemtic Name: 2-[3-[[4-(3-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[3-[[4-(3-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]acetic acid CAS Name: 2-[3-[[4-(3-methyl-1-phenyl-4-pyrazolyl)-2-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-[[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]acetic acid Traditional Name: 2-[3-[[4-(3-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]acetic acid 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)CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O2/c1-15-19(14-27(26-15)18-8-3-2-4-9-18)20-10-11-23-22(25-20)24-17-7-5-6-16(12-17)13-21(28)29/h2-12,14H,13H2,1H3,(H,28,29)(H,23,24,25)