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

Systemtic Name: N4-(1-adamantyl)-N6-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H20ClF3N6O2 MolecularWeight: 468.86001

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=C(C=C(C=N5)C(F)(F)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=C(C=C(C=N5)C(F)(F)F)Cl

InChI

InChI=1S/C20H20ClF3N6O2/c21-14-4-13(20(22,23)24)8-25-16(14)28-17-15(30(31)32)18(27-9-26-17)29-19-5-10-1-11(6-19)3-12(2-10)7-19/h4,8-12H,1-3,5-7H2,(H2,25,26,27,28,29)