3-(phenylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pteridin-4-one

Systemtic Name: 3-(phenylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pteridin-4-one Openeye Name: 3-benzyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pteridin-4-one CAS Name: 3-(phenylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-pteridinone IUPAC Name: 3-benzyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pteridin-4-one Traditional Name: 3-benzyl-2-[[3-(trifluoromethyl)benzyl]thio]pteridin-4-one Formula: C21H15F3N4OS MolecularWeight: 428.43021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H15F3N4OS/c22-21(23,24)16-8-4-7-15(11-16)13-30-20-27-18-17(25-9-10-26-18)19(29)28(20)12-14-5-2-1-3-6-14/h1-11H,12-13H2