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

Systemtic Name: 4-methyl-2-[[4-[[4-(methylsulfonylamino)phenyl]methylamino]-6-morpholin-4-yl-pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-[[4-(methanesulfonamido)phenyl]methylamino]-6-morpholino-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-[[4-(methanesulfonamido)phenyl]methylamino]-6-(4-morpholinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-[[4-(methanesulfonamido)phenyl]methylamino]-6-morpholin-4-ylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-[[4-(methanesulfonamido)benzyl]amino]-6-morpholino-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H25N7O5S2 MolecularWeight: 519.5971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)NCC3=CC=C(C=C3)NS(=O)(=O)C)N4CCOCC4)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)NCC3=CC=C(C=C3)NS(=O)(=O)C)N4CCOCC4)C(=O)O

InChI

InChI=1S/C21H25N7O5S2/c1-13-18(19(29)30)34-21(23-13)26-20-24-16(11-17(25-20)28-7-9-33-10-8-28)22-12-14-3-5-15(6-4-14)27-35(2,31)32/h3-6,11,27H,7-10,12H2,1-2H3,(H,29,30)(H2,22,23,24,25,26)