N-cyclopropyl-9-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N-cyclopropyl-9-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine Openeye Name: N-cyclopropyl-9-[2-(4-pyridylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine CAS Name: N-cyclopropyl-9-[2-(pyridin-4-ylamino)-4-pyrimidinyl]-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-cyclopropyl-9-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine Traditional Name: cyclopropyl-[9-[2-(4-pyridylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-yl]amine Formula: C18H14F3N9 MolecularWeight: 413.35927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3C4=NC(=NC=C4)NC5=CC=NC=C5)C(F)(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C4=NC(=NC=C4)NC5=CC=NC=C5)C(F)(F)F

InChI

InChI=1S/C18H14F3N9/c19-18(20,21)16-28-14(25-10-1-2-10)13-15(29-16)30(9-24-13)12-5-8-23-17(27-12)26-11-3-6-22-7-4-11/h3-10H,1-2H2,(H,25,28,29)(H,22,23,26,27)