6-(4-methylpiperazin-1-yl)-5-nitro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrimidin-4-amine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrimidin-4-amine Openeye Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrimidin-4-amine CAS Name: 6-(4-methyl-1-piperazinyl)-5-nitro-N-[[4-(trifluoromethylthio)phenyl]methyl]-4-pyrimidinamine IUPAC Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrimidin-4-amine Traditional Name: [6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethylthio)benzyl]amine Formula: C17H19F3N6O2S MolecularWeight: 428.43197

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)SC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)SC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H19F3N6O2S/c1-24-6-8-25(9-7-24)16-14(26(27)28)15(22-11-23-16)21-10-12-2-4-13(5-3-12)29-17(18,19)20/h2-5,11H,6-10H2,1H3,(H,21,22,23)