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

Systemtic Name: 4-methyl-2-[[4-morpholin-4-yl-6-[(4-sulfophenyl)methylamino]pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[[4-morpholino-6-[(4-sulfophenyl)methylamino]pyrimidin-2-yl]amino]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[[4-(4-morpholinyl)-6-[(4-sulfophenyl)methylamino]-2-pyrimidinyl]amino]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[[4-morpholin-4-yl-6-[(4-sulfophenyl)methylamino]pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-[[4-morpholino-6-[(4-sulfobenzyl)amino]pyrimidin-2-yl]amino]thiazole-5-carboxylic acid Formula: C20H22N6O6S2 MolecularWeight: 506.55528

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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)O)N4CCOCC4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O6S2/c1-12-17(18(27)28)33-20(22-12)25-19-23-15(10-16(24-19)26-6-8-32-9-7-26)21-11-13-2-4-14(5-3-13)34(29,30)31/h2-5,10H,6-9,11H2,1H3,(H,27,28)(H,29,30,31)(H2,21,22,23,24,25)