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

Systemtic Name: N-[4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl]phenyl]benzamide Openeye Name: N-[4-[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]phenyl]benzamide CAS Name: N-[4-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]phenyl]benzamide IUPAC Name: N-[4-[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]phenyl]benzamide Traditional Name: N-[4-[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]phenyl]benzamide Formula: C20H15N5O2S MolecularWeight: 389.4304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C20H15N5O2S/c21-10-15-11-23-20(25-18(15)22)28-12-17(26)13-6-8-16(9-7-13)24-19(27)14-4-2-1-3-5-14/h1-9,11H,12H2,(H,24,27)(H2,22,23,25)