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N4-(1-adamantyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

N4-(1-adamantyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name:N4-(1-adamantyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
Openeye Name:N4-(1-adamantyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CAS Name:N4-(1-adamantyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
IUPAC Name:4-N-(1-adamantyl)-5-nitro-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
Traditional Name:1-adamantyl-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amine
Formula: C21H22F3N5O2
MolecularWeight: 433.42689
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=CC=CC(=C5)C(F)(F)F


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=CC=CC(=C5)C(F)(F)F


InChI

InChI=1S/C21H22F3N5O2/c22-21(23,24)15-2-1-3-16(7-15)27-18-17(29(30)31)19(26-11-25-18)28-20-8-12-4-13(9-20)6-14(5-12)10-20/h1-3,7,11-14H,4-6,8-10H2,(H2,25,26,27,28)


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