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

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-6-cyclohexyloxy-5-nitro-pyrimidin-4-amine Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(cyclohexoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-cyclohexyloxy-5-nitro-4-pyrimidinamine IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine Traditional Name: [4-chloro-3-(trifluoromethyl)phenyl]-[6-(cyclohexoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C17H16ClF3N4O3 MolecularWeight: 416.78215

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C17H16ClF3N4O3/c18-13-7-6-10(8-12(13)17(19,20)21)24-15-14(25(26)27)16(23-9-22-15)28-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,22,23,24)