N2-[(4-chlorophenyl)methyl]-N4-(2-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[(4-chlorophenyl)methyl]-N4-(2-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-[(4-chlorophenyl)methyl]-N4-(2-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[(4-chlorophenyl)methyl]-N4-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(4-chlorophenyl)methyl]-4-N-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]-(2-fluorophenyl)amine Formula: C17H14ClFN6O2 MolecularWeight: 388.783463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C17H14ClFN6O2/c18-11-7-5-10(6-8-11)9-21-17-23-15(20)14(25(26)27)16(24-17)22-13-4-2-1-3-12(13)19/h1-8H,9H2,(H4,20,21,22,23,24)