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

Systemtic Name: N6-hexadecyl-N4,N4-dimethyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-N4,N4-dimethyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-N4,N4-dimethyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-4-N,4-N-dimethyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(cetylamino)-5-nitro-pyrimidin-4-yl]-dimethyl-amine Formula: C22H41N5O2 MolecularWeight: 407.59324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H41N5O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21-20(27(28)29)22(26(2)3)25-19-24-21/h19H,4-18H2,1-3H3,(H,23,24,25)