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

Systemtic Name: 6-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-[(4-fluorophenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(4-fluorobenzyl)amine Formula: C17H20FN5O2 MolecularWeight: 345.371403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H20FN5O2/c18-14-7-5-13(6-8-14)11-19-16-15(23(24)25)17(21-12-20-16)22-9-3-1-2-4-10-22/h5-8,12H,1-4,9-11H2,(H,19,20,21)