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

Systemtic Name: 4-methyl-2-[[4-(4-oxidanylpiperidin-1-yl)-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(4-hydroxy-1-piperidyl)-6-(4-isopropylpiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-(4-hydroxy-1-piperidinyl)-6-(4-propan-2-yl-1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-hydroxypiperidin-1-yl)-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(4-hydroxypiperidino)-6-(4-isopropylpiperazino)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H31N7O3S MolecularWeight: 461.58094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCN(CC3)C(C)C)N4CCC(CC4)O)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N3CCN(CC3)C(C)C)N4CCC(CC4)O)C(=O)O

InChI

InChI=1S/C21H31N7O3S/c1-13(2)26-8-10-28(11-9-26)17-12-16(27-6-4-15(29)5-7-27)23-20(24-17)25-21-22-14(3)18(32-21)19(30)31/h12-13,15,29H,4-11H2,1-3H3,(H,30,31)(H,22,23,24,25)