N-(2-cyanophenyl)-2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-cyanophenyl)-2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide CAS Name: N-(2-cyanophenyl)-2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide Traditional Name: 2-[(5-benzyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-(2-cyanophenyl)acetamide Formula: C20H16N4O3S MolecularWeight: 392.43104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=CC=CC=C3C#N)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=CC=CC=C3C#N)O

InChI

InChI=1S/C20H16N4O3S/c21-11-14-8-4-5-9-16(14)22-17(25)12-28-20-23-18(26)15(19(27)24-20)10-13-6-2-1-3-7-13/h1-9H,10,12H2,(H,22,25)(H2,23,24,26,27)