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

Systemtic Name: 4-methyl-2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[[4-[methyl(3-pyridylmethyl)amino]-6-piperazin-1-yl-pyrimidin-2-yl]amino]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[[4-[methyl(3-pyridinylmethyl)amino]-6-(1-piperazinyl)-2-pyrimidinyl]amino]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-piperazin-1-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-[[4-[methyl(3-pyridylmethyl)amino]-6-piperazino-pyrimidin-2-yl]amino]thiazole-5-carboxylic acid Formula: C20H24N8O2S MolecularWeight: 440.52196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N(C)CC3=CN=CC=C3)N4CCNCC4)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)N(C)CC3=CN=CC=C3)N4CCNCC4)C(=O)O

InChI

InChI=1S/C20H24N8O2S/c1-13-17(18(29)30)31-20(23-13)26-19-24-15(27(2)12-14-4-3-5-22-11-14)10-16(25-19)28-8-6-21-7-9-28/h3-5,10-11,21H,6-9,12H2,1-2H3,(H,29,30)(H,23,24,25,26)