2-methylpropyl 2-[[5-chloranyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-methylpropyl 2-[[5-chloranyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 2-[[5-chloro-2-(o-tolylmethylsulfanyl)pyrimidine-4-carbonyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[5-chloro-2-[(2-methylphenyl)methylthio]-4-pyrimidinyl]-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[[5-chloro-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[5-chloro-2-[(2-methylbenzyl)thio]pyrimidine-4-carbonyl]amino]-4-methyl-thiazole-5-carboxylic acid isobutyl ester Formula: C22H23ClN4O3S2 MolecularWeight: 491.02602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=NC(=C(S3)C(=O)OCC(C)C)C)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=NC(=C(S3)C(=O)OCC(C)C)C)Cl

InChI

InChI=1S/C22H23ClN4O3S2/c1-12(2)10-30-20(29)18-14(4)25-22(32-18)27-19(28)17-16(23)9-24-21(26-17)31-11-15-8-6-5-7-13(15)3/h5-9,12H,10-11H2,1-4H3,(H,25,27,28)