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

Systemtic Name: 2-[[4-(4-carboxypiperidin-1-yl)-6-(4-oxidanylpiperidin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(4-carboxy-1-piperidyl)-6-(4-hydroxy-1-piperidyl)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-(4-carboxy-1-piperidinyl)-6-(4-hydroxy-1-piperidinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-carboxypiperidin-1-yl)-6-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(4-carboxypiperidino)-6-(4-hydroxypiperidino)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C20H26N6O5S MolecularWeight: 462.52264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCC(CC3)O)N4CCC(CC4)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCC(CC3)O)N4CCC(CC4)C(=O)O)C(=O)O

InChI

InChI=1S/C20H26N6O5S/c1-11-16(18(30)31)32-20(21-11)24-19-22-14(25-6-2-12(3-7-25)17(28)29)10-15(23-19)26-8-4-13(27)5-9-26/h10,12-13,27H,2-9H2,1H3,(H,28,29)(H,30,31)(H,21,22,23,24)