2-[[4-(4-ethanoylphenyl)-6-(4-oxidanylpiperidin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[4-(4-ethanoylphenyl)-6-(4-oxidanylpiperidin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(4-acetylphenyl)-6-(4-hydroxy-1-piperidyl)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-(4-acetylphenyl)-6-(4-hydroxy-1-piperidinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-acetylphenyl)-6-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(4-acetylphenyl)-6-(4-hydroxypiperidino)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCC(CC3)O)C4=CC=C(C=C4)C(=O)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCC(CC3)O)C4=CC=C(C=C4)C(=O)C)C(=O)O

InChI

InChI=1S/C22H23N5O4S/c1-12-19(20(30)31)32-22(23-12)26-21-24-17(15-5-3-14(4-6-15)13(2)28)11-18(25-21)27-9-7-16(29)8-10-27/h3-6,11,16,29H,7-10H2,1-2H3,(H,30,31)(H,23,24,25,26)