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

Systemtic Name: 4-methyl-2-[[5-methyl-4-piperazin-1-yl-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[[5-methyl-4-piperazin-1-yl-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[[5-methyl-4-(1-piperazinyl)-6-[(4-sulfamoylphenyl)methylamino]-2-pyrimidinyl]amino]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[[5-methyl-4-piperazin-1-yl-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-[[5-methyl-4-piperazino-6-[(4-sulfamoylbenzyl)amino]pyrimidin-2-yl]amino]thiazole-5-carboxylic acid Formula: C21H26N8O4S2 MolecularWeight: 518.61234

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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)N4CCNCC4

Isomeric SMILES

CC1=C(N=C(N=C1NCC2=CC=C(C=C2)S(=O)(=O)N)NC3=NC(=C(S3)C(=O)O)C)N4CCNCC4

InChI

InChI=1S/C21H26N8O4S2/c1-12-17(24-11-14-3-5-15(6-4-14)35(22,32)33)26-20(27-18(12)29-9-7-23-8-10-29)28-21-25-13(2)16(34-21)19(30)31/h3-6,23H,7-11H2,1-2H3,(H,30,31)(H2,22,32,33)(H2,24,25,26,27,28)