2-azanyl-6,7-bis[[3-(trifluoromethyl)phenyl]methyl]-1H-pteridin-4-one

Systemtic Name: 2-azanyl-6,7-bis[[3-(trifluoromethyl)phenyl]methyl]-1H-pteridin-4-one Openeye Name: 2-amino-6,7-bis[[3-(trifluoromethyl)phenyl]methyl]-1H-pteridin-4-one CAS Name: 2-amino-6,7-bis[[3-(trifluoromethyl)phenyl]methyl]-1H-pteridin-4-one IUPAC Name: 2-amino-6,7-bis[[3-(trifluoromethyl)phenyl]methyl]-1H-pteridin-4-one Traditional Name: 2-amino-6,7-bis[3-(trifluoromethyl)benzyl]-1H-pteridin-4-one Formula: C22H15F6N5O MolecularWeight: 479.377819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CC2=NC3=C(NC(=NC3=O)N)N=C2CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CC2=NC3=C(NC(=NC3=O)N)N=C2CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H15F6N5O/c23-21(24,25)13-5-1-3-11(7-13)9-15-16(10-12-4-2-6-14(8-12)22(26,27)28)31-18-17(30-15)19(34)33-20(29)32-18/h1-8H,9-10H2,(H3,29,31,32,33,34)