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

Systemtic Name: ethyl 2-[[4-chloranyl-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-chloro-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-chloro-6-[(4-sulfamoylphenyl)methylamino]-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-chloro-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-chloro-6-[(4-sulfamoylbenzyl)amino]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C18H19ClN6O4S2 MolecularWeight: 482.96426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN6O4S2/c1-3-29-16(26)15-10(2)22-18(30-15)25-17-23-13(19)8-14(24-17)21-9-11-4-6-12(7-5-11)31(20,27)28/h4-8H,3,9H2,1-2H3,(H2,20,27,28)(H2,21,22,23,24,25)