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

Systemtic Name: N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H16ClF3N6O2 MolecularWeight: 416.78545

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClF3N6O2/c1-9-3-2-4-25(7-9)15-12(26(27)28)14(22-8-23-15)24-13-11(17)5-10(6-21-13)16(18,19)20/h5-6,8-9H,2-4,7H2,1H3,(H,21,22,23,24)