N2-[(4-chlorophenyl)methyl]-N4-(3-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[(4-chlorophenyl)methyl]-N4-(3-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-[(4-chlorophenyl)methyl]-N4-(3-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[(4-chlorophenyl)methyl]-N4-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(4-chlorophenyl)methyl]-4-N-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]-(3-fluorophenyl)amine Formula: C17H14ClFN6O2 MolecularWeight: 388.783463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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