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

Systemtic Name: propan-2-yl 4-methyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S2/c1-13(2)28-20(27)19-14(3)24-21(30-19)25-17(26)9-10-29-18-11-16(22-12-23-18)15-7-5-4-6-8-15/h4-8,11-13H,9-10H2,1-3H3,(H,24,25,26)