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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O

InChI

InChI=1S/C21H19N3O5S/c1-29-20(28)14-7-9-15(10-8-14)22-17(25)12-30-21-23-18(26)16(19(27)24-21)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,22,25)(H2,23,24,26,27)