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

Systemtic Name: N6-(1-adamantyl)-N4-tert-butyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1-adamantyl)-N4-tert-butyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1-adamantyl)-N4-tert-butyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1-adamantyl)-4-N-tert-butyl-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H27N5O2 MolecularWeight: 345.43928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H27N5O2/c1-17(2,3)21-15-14(23(24)25)16(20-10-19-15)22-18-7-11-4-12(8-18)6-13(5-11)9-18/h10-13H,4-9H2,1-3H3,(H2,19,20,21,22)