N4-tert-butyl-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-tert-butyl-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: tert-butyl-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C24H45N5O2 MolecularWeight: 435.6464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H45N5O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22-21(29(30)31)23(27-20-26-22)28-24(2,3)4/h20H,5-19H2,1-4H3,(H2,25,26,27,28)