methyl 3-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 3-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 3-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate CAS Name: 3-[[1-oxo-3-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate Traditional Name: 3-[3-[(6-phenylpyrimidin-4-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S/c1-27-21(26)16-8-5-9-17(12-16)24-19(25)10-11-28-20-13-18(22-14-23-20)15-6-3-2-4-7-15/h2-9,12-14H,10-11H2,1H3,(H,24,25)