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

Systemtic Name: 6-(azepan-1-yl)-5-nitro-N-[4-(trifluoromethyloxy)phenyl]pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-5-nitro-N-[4-(trifluoromethoxy)phenyl]-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C17H18F3N5O3 MolecularWeight: 397.35173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18F3N5O3/c18-17(19,20)28-13-7-5-12(6-8-13)23-15-14(25(26)27)16(22-11-21-15)24-9-3-1-2-4-10-24/h5-8,11H,1-4,9-10H2,(H,21,22,23)