N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: [6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C18H20ClF3N6O2 MolecularWeight: 444.83861

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C18H20ClF3N6O2/c19-13-5-4-12(18(20,21)22)10-14(13)26-17-15(28(29)30)16(24-11-25-17)23-6-9-27-7-2-1-3-8-27/h4-5,10-11H,1-3,6-9H2,(H2,23,24,25,26)