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

Systemtic Name: 2-methylpropyl 4-methyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 4-methyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-3-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]-5-thiazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[3-[(6-phenylpyrimidin-4-yl)thio]propanoylamino]thiazole-5-carboxylic acid isobutyl ester Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3)C(=O)OCC(C)C

InChI

InChI=1S/C22H24N4O3S2/c1-14(2)12-29-21(28)20-15(3)25-22(31-20)26-18(27)9-10-30-19-11-17(23-13-24-19)16-7-5-4-6-8-16/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,25,26,27)