N4,N6-bis(1-adamantyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4,N6-bis(1-adamantyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(1-adamantyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(1-adamantyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(1-adamantyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NC56CC7CC(C5)CC(C7)C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NC56CC7CC(C5)CC(C7)C6)[N+](=O)[O-]

InChI

InChI=1S/C24H33N5O2/c30-29(31)20-21(27-23-7-14-1-15(8-23)3-16(2-14)9-23)25-13-26-22(20)28-24-10-17-4-18(11-24)6-19(5-17)12-24/h13-19H,1-12H2,(H2,25,26,27,28)