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

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: [4-chloro-3-(trifluoromethyl)phenyl]-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amine Formula: C15H13ClF3N5O2 MolecularWeight: 387.74423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC=N2)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC=N2)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H13ClF3N5O2/c16-11-4-3-9(7-10(11)15(17,18)19)22-13-12(24(25)26)14(21-8-20-13)23-5-1-2-6-23/h3-4,7-8H,1-2,5-6H2,(H,20,21,22)