ethyl 2-[[9-ethyl-6-[(4-sulfamoylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[9-ethyl-6-[(4-sulfamoylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[9-ethyl-6-[(4-sulfamoylphenyl)methylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[9-ethyl-6-[(4-sulfamoylphenyl)methylamino]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[9-ethyl-6-[(4-sulfamoylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[9-ethyl-6-[(4-sulfamoylbenzyl)amino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H24N8O4S2 MolecularWeight: 516.59646

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)S(=O)(=O)N)NC4=NC(=C(S4)C(=O)OCC)C

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)S(=O)(=O)N)NC4=NC(=C(S4)C(=O)OCC)C

InChI

InChI=1S/C21H24N8O4S2/c1-4-29-11-24-15-17(23-10-13-6-8-14(9-7-13)35(22,31)32)26-20(27-18(15)29)28-21-25-12(3)16(34-21)19(30)33-5-2/h6-9,11H,4-5,10H2,1-3H3,(H2,22,31,32)(H2,23,25,26,27,28)