N-cyclopropyl-5-nitro-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-5-nitro-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine Openeye Name: N-cyclopropyl-5-nitro-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine CAS Name: N-cyclopropyl-5-nitro-2-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-cyclopropyl-5-nitro-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine Traditional Name: cyclopropyl-[5-nitro-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]pyrimidin-4-yl]amine Formula: C18H19F3N6O4S MolecularWeight: 472.44147

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C18H19F3N6O4S/c19-18(20,21)12-1-5-14(6-2-12)32(30,31)26-9-7-25(8-10-26)17-22-11-15(27(28)29)16(24-17)23-13-3-4-13/h1-2,5-6,11,13H,3-4,7-10H2,(H,22,23,24)