2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanylethanenitrile Openeye Name: 2-(4-oxo-3-phenethyl-pteridin-2-yl)sulfanylacetonitrile CAS Name: 2-[(4-oxo-3-phenethyl-2-pteridinyl)thio]acetonitrile IUPAC Name: 2-(4-oxo-3-phenethylpteridin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(4-keto-3-phenethyl-pteridin-2-yl)thio]acetonitrile Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC#N

InChI

InChI=1S/C16H13N5OS/c17-7-11-23-16-20-14-13(18-8-9-19-14)15(22)21(16)10-6-12-4-2-1-3-5-12/h1-5,8-9H,6,10-11H2