N4-(1-adamantyl)-N6-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-N6-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(3-chloro-4-fluoro-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C20H21ClFN5O2 MolecularWeight: 417.864443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFN5O2/c21-15-6-14(1-2-16(15)22)25-18-17(27(28)29)19(24-10-23-18)26-20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13H,3-5,7-9H2,(H2,23,24,25,26)