methyl 4-[2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate Openeye Name: methyl 4-[2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 4-[2-[(4-hydroxy-6-keto-5-phenyl-1H-pyrimidin-2-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H19N3O5S/c1-12(17(25)22-15-10-8-14(9-11-15)20(28)29-2)30-21-23-18(26)16(19(27)24-21)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,25)(H2,23,24,26,27)