N-[6-acetamido-2-(cyanomethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-acetamido-2-(cyanomethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-acetamido-2-(cyanomethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-acetamido-2-(cyanomethylthio)-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-acetamido-2-(cyanomethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-acetamido-2-(cyanomethylthio)-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=O)N=C(N1)SCC#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(C(=O)N=C(N1)SCC#N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H13N5O3S/c1-9(21)17-12-11(14(23)20-15(19-12)24-8-7-16)18-13(22)10-5-3-2-4-6-10/h2-6H,8H2,1H3,(H,18,22)(H2,17,19,20,21,23)