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

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: [4-chloro-3-(trifluoromethyl)phenyl]-(5-nitro-6-piperidino-pyrimidin-4-yl)amine Formula: C16H15ClF3N5O2 MolecularWeight: 401.77081

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClF3N5O2/c17-12-5-4-10(8-11(12)16(18,19)20)23-14-13(25(26)27)15(22-9-21-14)24-6-2-1-3-7-24/h4-5,8-9H,1-3,6-7H2,(H,21,22,23)