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

Systemtic Name: 4-methyl-2-[[4-piperazin-1-yl-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[[4-piperazin-1-yl-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[[4-(1-piperazinyl)-6-[(4-sulfamoylphenyl)methylamino]-2-pyrimidinyl]amino]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[[4-piperazin-1-yl-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-[[4-piperazino-6-[(4-sulfamoylbenzyl)amino]pyrimidin-2-yl]amino]thiazole-5-carboxylic acid Formula: C20H24N8O4S2 MolecularWeight: 504.58576

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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)N)N4CCNCC4)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)NCC3=CC=C(C=C3)S(=O)(=O)N)N4CCNCC4)C(=O)O

InChI

InChI=1S/C20H24N8O4S2/c1-12-17(18(29)30)33-20(24-12)27-19-25-15(10-16(26-19)28-8-6-22-7-9-28)23-11-13-2-4-14(5-3-13)34(21,31)32/h2-5,10,22H,6-9,11H2,1H3,(H,29,30)(H2,21,31,32)(H2,23,24,25,26,27)