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

Systemtic Name: 2-methylpropyl 4-methyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 4-methyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-5-thiazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(6-methylpyrimidin-4-yl)thio]butanoylamino]thiazole-5-carboxylic acid isobutyl ester Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC(C)C)C)SC2=NC=NC(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC(C)C)C)SC2=NC=NC(=C2)C

InChI

InChI=1S/C18H24N4O3S2/c1-6-13(26-14-7-11(4)19-9-20-14)16(23)22-18-21-12(5)15(27-18)17(24)25-8-10(2)3/h7,9-10,13H,6,8H2,1-5H3,(H,21,22,23)