6-(azepan-1-yl)-N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridyl]amine Formula: C16H16ClF3N6O2 MolecularWeight: 416.78545

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClF3N6O2/c17-11-7-10(16(18,19)20)8-21-13(11)24-14-12(26(27)28)15(23-9-22-14)25-5-3-1-2-4-6-25/h7-9H,1-6H2,(H,21,22,23,24)