N6-[(4-fluorophenyl)methyl]-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-fluorophenyl)methyl]-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-fluorophenyl)methyl]-N4-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-fluorophenyl)methyl]-N4-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-fluorobenzyl)-[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H14FN5O3 MolecularWeight: 343.312463

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)F

Isomeric SMILES

C1=COC(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)F

InChI

InChI=1S/C16H14FN5O3/c17-12-5-3-11(4-6-12)8-18-15-14(22(23)24)16(21-10-20-15)19-9-13-2-1-7-25-13/h1-7,10H,8-9H2,(H2,18,19,20,21)