2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetonitrile CAS Name: 2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]acetonitrile IUPAC Name: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(5-benzyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetonitrile Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC#N)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC#N)O

InChI

InChI=1S/C13H11N3O2S/c14-6-7-19-13-15-11(17)10(12(18)16-13)8-9-4-2-1-3-5-9/h1-5H,7-8H2,(H2,15,16,17,18)