N-cyclopropyl-9-(2-piperazin-1-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N-cyclopropyl-9-(2-piperazin-1-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine Openeye Name: N-cyclopropyl-9-(2-piperazin-1-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine CAS Name: N-cyclopropyl-9-[2-(1-piperazinyl)-4-pyrimidinyl]-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-cyclopropyl-9-(2-piperazin-1-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine Traditional Name: cyclopropyl-[9-(2-piperazinopyrimidin-4-yl)-2-(trifluoromethyl)purin-6-yl]amine Formula: C17H18F3N9 MolecularWeight: 405.38033

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3C4=NC(=NC=C4)N5CCNCC5)C(F)(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C4=NC(=NC=C4)N5CCNCC5)C(F)(F)F

InChI

InChI=1S/C17H18F3N9/c18-17(19,20)15-26-13(24-10-1-2-10)12-14(27-15)29(9-23-12)11-3-4-22-16(25-11)28-7-5-21-6-8-28/h3-4,9-10,21H,1-2,5-8H2,(H,24,26,27)