N6-[(4-fluorophenyl)methyl]-N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-fluorophenyl)methyl]-N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-fluorophenyl)methyl]-N4-(5-methylisoxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-fluorophenyl)methyl]-N4-(5-methyl-3-isoxazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-fluorobenzyl)-[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C15H13FN6O3 MolecularWeight: 344.300523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C15H13FN6O3/c1-9-6-12(21-25-9)20-15-13(22(23)24)14(18-8-19-15)17-7-10-2-4-11(16)5-3-10/h2-6,8H,7H2,1H3,(H2,17,18,19,20,21)