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

Systemtic Name: methyl 4-[2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetyl]amino]benzoate CAS Name: 4-[[2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21N3O4S/c1-14-18(12-19(26)24-17-10-8-16(9-11-17)21(28)29-2)20(27)25-22(23-14)30-13-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,24,26)(H,23,25,27)