6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-N-[(4-fluorophenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-(4-fluorobenzyl)amine Formula: C16H15FN6O2 MolecularWeight: 342.327703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-])C

InChI

InChI=1S/C16H15FN6O2/c1-10-7-11(2)22(21-10)16-14(23(24)25)15(19-9-20-16)18-8-12-3-5-13(17)6-4-12/h3-7,9H,8H2,1-2H3,(H,18,19,20)