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

Systemtic Name: 6-(3-methylpiperidin-1-yl)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 6-(3-methyl-1-piperidyl)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 6-(3-methyl-1-piperidinyl)-5-nitro-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 6-(3-methylpiperidin-1-yl)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C17H18F3N5O2 MolecularWeight: 381.35233

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18F3N5O2/c1-11-3-2-8-24(9-11)16-14(25(26)27)15(21-10-22-16)23-13-6-4-12(5-7-13)17(18,19)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22,23)