N-[4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl]phenyl]hexanamide

Systemtic Name: N-[4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl]phenyl]hexanamide Openeye Name: N-[4-[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]phenyl]hexanamide CAS Name: N-[4-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]phenyl]hexanamide IUPAC Name: N-[4-[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]phenyl]hexanamide Traditional Name: N-[4-[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]phenyl]hexanamide Formula: C19H21N5O2S MolecularWeight: 383.46734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C19H21N5O2S/c1-2-3-4-5-17(26)23-15-8-6-13(7-9-15)16(25)12-27-19-22-11-14(10-20)18(21)24-19/h6-9,11H,2-5,12H2,1H3,(H,23,26)(H2,21,22,24)