6-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-s-triazin-2-yl]-(4-fluorophenyl)amine Formula: C20H20ClFN8O2 MolecularWeight: 458.876603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClFN8O2/c21-13-1-6-16(17(11-13)30(31)32)29-9-7-28(8-10-29)12-18-25-19(23)27-20(26-18)24-15-4-2-14(22)3-5-15/h1-6,11H,7-10,12H2,(H3,23,24,25,26,27)