2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)NCC2=CC=CC=C2)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)NCC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H16N4O2S/c1-2-13-12(8-17)15(22)20-16(19-13)23-10-14(21)18-9-11-6-4-3-5-7-11/h3-7H,2,9-10H2,1H3,(H,18,21)(H,19,20,22)