2-(furan-2-yl)-N5-[2-[4-[2,4,5-tris(fluoranyl)phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine

Systemtic Name: 2-(furan-2-yl)-N5-[2-[4-[2,4,5-tris(fluoranyl)phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine Openeye Name: 2-(2-furyl)-N5-[2-[4-(2,4,5-trifluorophenyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine CAS Name: 2-(2-furanyl)-N5-[2-[4-(2,4,5-trifluorophenyl)-1-piperazinyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine IUPAC Name: 2-(furan-2-yl)-5-N-[2-[4-(2,4,5-trifluorophenyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine Traditional Name: [7-amino-2-(2-furyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-[2-[4-(2,4,5-trifluorophenyl)piperazino]ethyl]amine Formula: C21H21F3N8O MolecularWeight: 458.43965

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=NC3=NC(=NN3C(=C2)N)C4=CC=CO4)C5=CC(=C(C=C5F)F)F

Isomeric SMILES

C1CN(CCN1CCNC2=NC3=NC(=NN3C(=C2)N)C4=CC=CO4)C5=CC(=C(C=C5F)F)F

InChI

InChI=1S/C21H21F3N8O/c22-13-10-15(24)16(11-14(13)23)31-7-5-30(6-8-31)4-3-26-19-12-18(25)32-21(27-19)28-20(29-32)17-2-1-9-33-17/h1-2,9-12H,3-8,25H2,(H,26,27,28,29)