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

Systemtic Name: ethyl 4-methyl-2-[[4-piperazin-1-yl-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-piperazin-1-yl-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[4-(1-piperazinyl)-6-[(4-sulfamoylphenyl)methylamino]-2-pyrimidinyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-piperazin-1-yl-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[4-piperazino-6-[(4-sulfamoylbenzyl)amino]pyrimidin-2-yl]amino]thiazole-5-carboxylic acid ethyl ester Formula: C22H28N8O4S2 MolecularWeight: 532.63892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC2=NC(=CC(=N2)NCC3=CC=C(C=C3)S(=O)(=O)N)N4CCNCC4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=NC(=CC(=N2)NCC3=CC=C(C=C3)S(=O)(=O)N)N4CCNCC4)C

InChI

InChI=1S/C22H28N8O4S2/c1-3-34-20(31)19-14(2)26-22(35-19)29-21-27-17(12-18(28-21)30-10-8-24-9-11-30)25-13-15-4-6-16(7-5-15)36(23,32)33/h4-7,12,24H,3,8-11,13H2,1-2H3,(H2,23,32,33)(H2,25,26,27,28,29)