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

Systemtic Name: 4-[2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetyl]amino]benzamide CAS Name: 4-[[2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetyl]amino]benzamide Traditional Name: 4-[[2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetyl]amino]benzamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c1-13-17(11-18(26)24-16-9-7-15(8-10-16)19(22)27)20(28)25-21(23-13)29-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,22,27)(H,24,26)(H,23,25,28)