N4-[(4-chlorophenyl)methyl]-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[(4-chlorophenyl)methyl]-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[(4-chlorophenyl)methyl]-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(4-chlorophenyl)methyl]-N6-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-chlorophenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[6-[(4-fluorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H15ClFN5O2 MolecularWeight: 387.795403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-])F

InChI

InChI=1S/C18H15ClFN5O2/c19-14-5-1-12(2-6-14)9-21-17-16(25(26)27)18(24-11-23-17)22-10-13-3-7-15(20)8-4-13/h1-8,11H,9-10H2,(H2,21,22,23,24)