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

Systemtic Name: 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-yl-pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(3-pyridyl)pyrimidin-2-yl]amino]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(3-pyridinyl)-2-pyrimidinyl]amino]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-[(4-mesylbenzyl)amino]-6-(3-pyridyl)pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C22H20N6O4S2 MolecularWeight: 496.562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)NCC3=CC=C(C=C3)S(=O)(=O)C)C4=CN=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)NCC3=CC=C(C=C3)S(=O)(=O)C)C4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C22H20N6O4S2/c1-13-19(20(29)30)33-22(25-13)28-21-26-17(15-4-3-9-23-12-15)10-18(27-21)24-11-14-5-7-16(8-6-14)34(2,31)32/h3-10,12H,11H2,1-2H3,(H,29,30)(H2,24,25,26,27,28)