2-methylpropyl 4-methyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: 2-methylpropyl 4-methyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 4-methyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[3-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-5-thiazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[3-[(6-methylpyrimidin-4-yl)thio]propanoylamino]thiazole-5-carboxylic acid isobutyl ester Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SCCC(=O)NC2=NC(=C(S2)C(=O)OCC(C)C)C

Isomeric SMILES

CC1=CC(=NC=N1)SCCC(=O)NC2=NC(=C(S2)C(=O)OCC(C)C)C

InChI

InChI=1S/C17H22N4O3S2/c1-10(2)8-24-16(23)15-12(4)20-17(26-15)21-13(22)5-6-25-14-7-11(3)18-9-19-14/h7,9-10H,5-6,8H2,1-4H3,(H,20,21,22)