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

Systemtic Name: 4-methyl-2-[[4-(4-oxidanylpiperidin-1-yl)-6-pyrimidin-4-yl-pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(4-hydroxy-1-piperidyl)-6-pyrimidin-4-yl-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-(4-hydroxy-1-piperidinyl)-6-(4-pyrimidinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-hydroxypiperidin-1-yl)-6-pyrimidin-4-ylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(4-hydroxypiperidino)-6-(4-pyrimidyl)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C18H19N7O3S MolecularWeight: 413.45356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O3S/c1-10-15(16(27)28)29-18(21-10)24-17-22-13(12-2-5-19-9-20-12)8-14(23-17)25-6-3-11(26)4-7-25/h2,5,8-9,11,26H,3-4,6-7H2,1H3,(H,27,28)(H,21,22,23,24)