N6-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C15H16ClF3N8O2 MolecularWeight: 432.78815

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C15H16ClF3N8O2/c1-25-2-4-26(5-3-25)24-14-11(27(28)29)13(21-8-22-14)23-12-10(16)6-9(7-20-12)15(17,18)19/h6-8H,2-5H2,1H3,(H2,20,21,22,23,24)