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

Systemtic Name: 6-diazanyl-N-hexadecyl-5-nitro-pyrimidin-4-amine Openeye Name: N-hexadecyl-6-hydrazino-5-nitro-pyrimidin-4-amine CAS Name: N-hexadecyl-6-hydrazinyl-5-nitro-4-pyrimidinamine IUPAC Name: N-hexadecyl-6-hydrazinyl-5-nitropyrimidin-4-amine Traditional Name: cetyl-(6-hydrazino-5-nitro-pyrimidin-4-yl)amine Formula: C20H38N6O2 MolecularWeight: 394.55472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19-18(26(27)28)20(25-21)24-17-23-19/h17H,2-16,21H2,1H3,(H2,22,23,24,25)