5-[[5-tert-butyl-2-(2-methoxy-6-methyl-phenyl)pyrazol-3-yl]amino]-2-methylsulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-[[5-tert-butyl-2-(2-methoxy-6-methyl-phenyl)pyrazol-3-yl]amino]-2-methylsulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 5-[[5-tert-butyl-2-(2-methoxy-6-methyl-phenyl)pyrazol-3-yl]amino]-2-methylsulfanyl-pyrimidine-4-carboxylic acid CAS Name: 5-[[5-tert-butyl-2-(2-methoxy-6-methylphenyl)-3-pyrazolyl]amino]-2-(methylthio)-4-pyrimidinecarboxylic acid IUPAC Name: 5-[[5-tert-butyl-2-(2-methoxy-6-methylphenyl)pyrazol-3-yl]amino]-2-methylsulfanylpyrimidine-4-carboxylic acid Traditional Name: 5-[[5-tert-butyl-2-(2-methoxy-6-methyl-phenyl)pyrazol-3-yl]amino]-2-(methylthio)pyrimidine-4-carboxylic acid Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC)N2C(=CC(=N2)C(C)(C)C)NC3=CN=C(N=C3C(=O)O)SC

Isomeric SMILES

CC1=C(C(=CC=C1)OC)N2C(=CC(=N2)C(C)(C)C)NC3=CN=C(N=C3C(=O)O)SC

InChI

InChI=1S/C21H25N5O3S/c1-12-8-7-9-14(29-5)18(12)26-16(10-15(25-26)21(2,3)4)23-13-11-22-20(30-6)24-17(13)19(27)28/h7-11,23H,1-6H3,(H,27,28)