1,3-dimethyl-6,7-bis[[3-(trifluoromethyl)phenyl]amino]pteridine-2,4-dione

Systemtic Name: 1,3-dimethyl-6,7-bis[[3-(trifluoromethyl)phenyl]amino]pteridine-2,4-dione Openeye Name: 1,3-dimethyl-6,7-bis[3-(trifluoromethyl)anilino]pteridine-2,4-dione CAS Name: 1,3-dimethyl-6,7-bis[3-(trifluoromethyl)anilino]pteridine-2,4-dione IUPAC Name: 1,3-dimethyl-6,7-bis[3-(trifluoromethyl)anilino]pteridine-2,4-dione Traditional Name: 1,3-dimethyl-6,7-bis[3-(trifluoromethyl)anilino]pteridine-2,4-quinone Formula: C22H16F6N6O2 MolecularWeight: 510.391859

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(C(=N2)NC3=CC=CC(=C3)C(F)(F)F)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(C(=N2)NC3=CC=CC(=C3)C(F)(F)F)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H16F6N6O2/c1-33-18-15(19(35)34(2)20(33)36)31-16(29-13-7-3-5-11(9-13)21(23,24)25)17(32-18)30-14-8-4-6-12(10-14)22(26,27)28/h3-10H,1-2H3,(H,29,31)(H,30,32)