N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C16H17ClF3N7O2 MolecularWeight: 431.80009

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C16H17ClF3N7O2/c1-25-4-6-26(7-5-25)24-15-13(27(28)29)14(21-9-22-15)23-10-2-3-12(17)11(8-10)16(18,19)20/h2-3,8-9H,4-7H2,1H3,(H2,21,22,23,24)