N4,N4-diethyl-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H45N5O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-23-22(29(30)31)24(27-21-26-23)28(5-2)6-3/h21H,4-20H2,1-3H3,(H,25,26,27)