methyl 3-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 3-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 3-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate CAS Name: 3-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate Traditional Name: 3-[2-[(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:

CC(C(=O)NC1=CC=CC(=C1)C(=O)OC)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)OC)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S/c1-14(20(25)24-17-10-6-9-16(11-17)21(26)27-2)28-19-12-18(22-13-23-19)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,24,25)