N-cycloheptyl-5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-cycloheptyl-5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-cycloheptyl-5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-cycloheptyl-5-phenyl-7-[3-(trifluoromethyl)phenyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-cycloheptyl-5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: cycloheptyl-[5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C26H25F3N4 MolecularWeight: 450.49871

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC=NC3=C2C(=CN3C4=CC=CC(=C4)C(F)(F)F)C5=CC=CC=C5

Isomeric SMILES

C1CCCC(CC1)NC2=NC=NC3=C2C(=CN3C4=CC=CC(=C4)C(F)(F)F)C5=CC=CC=C5

InChI

InChI=1S/C26H25F3N4/c27-26(28,29)19-11-8-14-21(15-19)33-16-22(18-9-4-3-5-10-18)23-24(30-17-31-25(23)33)32-20-12-6-1-2-7-13-20/h3-5,8-11,14-17,20H,1-2,6-7,12-13H2,(H,30,31,32)