N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitro-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amine Formula: C17H19ClF3N7O2 MolecularWeight: 445.82667

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C17H19ClF3N7O2/c18-12-8-11(17(19,20)21)9-23-14(12)26-16-13(28(29)30)15(24-10-25-16)22-4-7-27-5-2-1-3-6-27/h8-10H,1-7H2,(H2,22,23,24,25,26)