N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H17ClF3N7O2 MolecularWeight: 431.80009

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClF3N7O2/c1-2-25-3-5-26(6-4-25)15-12(27(28)29)14(22-9-23-15)24-13-11(17)7-10(8-21-13)16(18,19)20/h7-9H,2-6H2,1H3,(H,21,22,23,24)