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

Systemtic Name: 2-[[4-chloranyl-6-[(4-methylsulfonylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-chloro-6-[(4-methylsulfonylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-chloro-6-[(4-methylsulfonylphenyl)methylamino]-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-chloro-6-[(4-methylsulfonylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-chloro-6-[(4-mesylbenzyl)amino]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C17H16ClN5O4S2 MolecularWeight: 453.92304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)Cl)NCC3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)Cl)NCC3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C17H16ClN5O4S2/c1-9-14(15(24)25)28-17(20-9)23-16-21-12(18)7-13(22-16)19-8-10-3-5-11(6-4-10)29(2,26)27/h3-7H,8H2,1-2H3,(H,24,25)(H2,19,20,21,22,23)