methyl 4-methyl-3-[3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanoylamino]benzoate Openeye Name: methyl 3-[3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]-4-methylbenzoate Traditional Name: 3-[3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

InChI

InChI=1S/C24H25N3O4S/c1-15-9-10-18(23(30)31-3)13-20(15)26-21(28)12-11-19-16(2)25-24(27-22(19)29)32-14-17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3,(H,26,28)(H,25,27,29)