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

Systemtic Name: 4-[2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[6-methyl-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[4-keto-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetyl]amino]benzamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3S/c1-13-18(12-19(27)25-17-10-8-16(9-11-17)20(23)28)21(29)26-22(24-13)30-14(2)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H2,23,28)(H,25,27)(H,24,26,29)