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

Systemtic Name: ethyl 2-[[4-chloranyl-5-prop-2-enyl-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[5-allyl-4-chloro-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-chloro-5-prop-2-enyl-6-[(4-sulfamoylphenyl)methylamino]-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-chloro-5-prop-2-enyl-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[5-allyl-4-chloro-6-[(4-sulfamoylbenzyl)amino]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H23ClN6O4S2 MolecularWeight: 523.02812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN6O4S2/c1-4-6-15-17(22)26-20(28-21-25-12(3)16(33-21)19(29)32-5-2)27-18(15)24-11-13-7-9-14(10-8-13)34(23,30)31/h4,7-10H,1,5-6,11H2,2-3H3,(H2,23,30,31)(H2,24,25,26,27,28)