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

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [4-chloro-3-(trifluoromethyl)phenyl]-[6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H17ClF3N5O2 MolecularWeight: 415.79739

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClF3N5O2/c1-10-4-2-3-7-25(10)16-14(26(27)28)15(22-9-23-16)24-11-5-6-13(18)12(8-11)17(19,20)21/h5-6,8-10H,2-4,7H2,1H3,(H,22,23,24)