N-[2-chloranyl-5-(trifluoromethyl)phenyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [2-chloro-5-(trifluoromethyl)phenyl]-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H16ClF3N6O2 MolecularWeight: 416.78545

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=CC(=C3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=CC(=C3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClF3N6O2/c1-24-4-6-25(7-5-24)15-13(26(27)28)14(21-9-22-15)23-12-8-10(16(18,19)20)2-3-11(12)17/h2-3,8-9H,4-7H2,1H3,(H,21,22,23)