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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NCC2=CC=C(C=C2)S(=O)(=O)N)NC3=NC(=C(S3)C(=O)O)C)N4CCOCC4

Isomeric SMILES

CC1=C(N=C(N=C1NCC2=CC=C(C=C2)S(=O)(=O)N)NC3=NC(=C(S3)C(=O)O)C)N4CCOCC4

InChI

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