N-(2-azanyl-5-cyano-4-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)benzamide

Systemtic Name: N-(2-azanyl-5-cyano-4-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)benzamide Openeye Name: N-(2-amino-5-cyano-4-methylsulfanyl-6-oxo-pyrimidin-1-yl)benzamide CAS Name: N-[2-amino-5-cyano-4-(methylthio)-6-oxo-1-pyrimidinyl]benzamide IUPAC Name: N-(2-amino-5-cyano-4-methylsulfanyl-6-oxopyrimidin-1-yl)benzamide Traditional Name: N-[2-amino-5-cyano-6-keto-4-(methylthio)pyrimidin-1-yl]benzamide Formula: C13H11N5O2S MolecularWeight: 301.32374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N(C(=N1)N)NC(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

CSC1=C(C(=O)N(C(=N1)N)NC(=O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C13H11N5O2S/c1-21-11-9(7-14)12(20)18(13(15)16-11)17-10(19)8-5-3-2-4-6-8/h2-6H,1H3,(H2,15,16)(H,17,19)