N4-(1-adamantyl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NCC5=CN=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NCC5=CN=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O2/c27-26(28)17-18(22-11-13-2-1-3-21-10-13)23-12-24-19(17)25-20-7-14-4-15(8-20)6-16(5-14)9-20/h1-3,10,12,14-16H,4-9,11H2,(H2,22,23,24,25)