2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanylethanenitrile Openeye Name: 2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]acetonitrile Formula: C14H14N4OS MolecularWeight: 286.35216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC#N)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC#N)N

InChI

InChI=1S/C14H14N4OS/c15-7-9-20-14-17-13(19)10-12(16)18(14)8-6-11-4-2-1-3-5-11/h1-5,10H,6,8-9,16H2