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

Systemtic Name: ethyl 2-[[4-chloranyl-6-[(4-methylsulfonylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-chloro-6-[(4-methylsulfonylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-chloro-6-[(4-methylsulfonylphenyl)methylamino]-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-chloro-6-[(4-methylsulfonylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-chloro-6-[(4-mesylbenzyl)amino]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C19H20ClN5O4S2 MolecularWeight: 481.9762

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN5O4S2/c1-4-29-17(26)16-11(2)22-19(30-16)25-18-23-14(20)9-15(24-18)21-10-12-5-7-13(8-6-12)31(3,27)28/h5-9H,4,10H2,1-3H3,(H2,21,22,23,24,25)