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

Systemtic Name: N4-(1-adamantyl)-N6-ethyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-ethyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-ethyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(ethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H23N5O2 MolecularWeight: 317.38612

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC(=C1[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C16H23N5O2/c1-2-17-14-13(21(22)23)15(19-9-18-14)20-16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,2-8H2,1H3,(H2,17,18,19,20)