N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]-2-phenoxy-ethanehydrazide

Systemtic Name: N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]-2-phenoxy-ethanehydrazide Openeye Name: N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]-2-phenoxy-acetohydrazide CAS Name: N'-[6-(hexadecylamino)-5-nitro-4-pyrimidinyl]-2-phenoxyacetohydrazide IUPAC Name: N'-[6-(hexadecylamino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide Traditional Name: N'-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]-2-phenoxy-acetohydrazide Formula: C28H44N6O4 MolecularWeight: 528.68676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NNC(=O)COC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NNC(=O)COC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C28H44N6O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-29-27-26(34(36)37)28(31-23-30-27)33-32-25(35)22-38-24-19-16-15-17-20-24/h15-17,19-20,23H,2-14,18,21-22H2,1H3,(H,32,35)(H2,29,30,31,33)