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

Systemtic Name: N4-(1-adamantyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C30H51N5O2 MolecularWeight: 513.75824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C30H51N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-31-28-27(35(36)37)29(33-23-32-28)34-30-20-24-17-25(21-30)19-26(18-24)22-30/h23-26H,2-22H2,1H3,(H2,31,32,33,34)