2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-benzyloxyphenyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(4-benzoxyphenyl)acetamide Formula: C20H17N5O2S MolecularWeight: 391.44628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C20H17N5O2S/c21-10-15-11-23-20(25-19(15)22)28-13-18(26)24-16-6-8-17(9-7-16)27-12-14-4-2-1-3-5-14/h1-9,11H,12-13H2,(H,24,26)(H2,22,23,25)