6-ethoxy-N-hexadecyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-ethoxy-N-hexadecyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-ethoxy-N-hexadecyl-5-nitro-pyrimidin-4-amine CAS Name: 6-ethoxy-N-hexadecyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-ethoxy-N-hexadecyl-5-nitropyrimidin-4-amine Traditional Name: cetyl-(6-ethoxy-5-nitro-pyrimidin-4-yl)amine Formula: C22H40N4O3 MolecularWeight: 408.578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H40N4O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21-20(26(27)28)22(29-4-2)25-19-24-21/h19H,3-18H2,1-2H3,(H,23,24,25)