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

Systemtic Name: 4-methyl-2-[[4-(4-methylsulfanylphenyl)-6-(4-oxidanylpiperidin-1-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(4-hydroxy-1-piperidyl)-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-(4-hydroxy-1-piperidinyl)-6-[4-(methylthio)phenyl]-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-hydroxypiperidin-1-yl)-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(4-hydroxypiperidino)-6-[4-(methylthio)phenyl]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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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)SC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3S2/c1-12-18(19(28)29)31-21(22-12)25-20-23-16(13-3-5-15(30-2)6-4-13)11-17(24-20)26-9-7-14(27)8-10-26/h3-6,11,14,27H,7-10H2,1-2H3,(H,28,29)(H,22,23,24,25)