6,7-bis[[3-(trifluoromethyl)phenyl]methyl]pteridine-2,4-diamine

Systemtic Name: 6,7-bis[[3-(trifluoromethyl)phenyl]methyl]pteridine-2,4-diamine Openeye Name: 6,7-bis[[3-(trifluoromethyl)phenyl]methyl]pteridine-2,4-diamine CAS Name: 6,7-bis[[3-(trifluoromethyl)phenyl]methyl]pteridine-2,4-diamine IUPAC Name: 6,7-bis[[3-(trifluoromethyl)phenyl]methyl]pteridine-2,4-diamine Traditional Name: [2-amino-6,7-bis[3-(trifluoromethyl)benzyl]pteridin-4-yl]amine Formula: C22H16F6N6 MolecularWeight: 478.393059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CC2=NC3=C(N=C2CC4=CC(=CC=C4)C(F)(F)F)N=C(N=C3N)N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CC2=NC3=C(N=C2CC4=CC(=CC=C4)C(F)(F)F)N=C(N=C3N)N

InChI

InChI=1S/C22H16F6N6/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)32-19-17(31-15)18(29)33-20(30)34-19/h1-8H,9-10H2,(H4,29,30,32,33,34)