6-(azepan-1-yl)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-[4-chloro-3-(trifluoromethyl)phenyl]amine Formula: C17H17ClF3N5O2 MolecularWeight: 415.79739

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClF3N5O2/c18-13-6-5-11(9-12(13)17(19,20)21)24-15-14(26(27)28)16(23-10-22-15)25-7-3-1-2-4-8-25/h5-6,9-10H,1-4,7-8H2,(H,22,23,24)