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

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]ethanehydrazide Openeye Name: 2-(2,4-dichlorophenoxy)-N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]acetohydrazide CAS Name: 2-(2,4-dichlorophenoxy)-N'-[6-(hexadecylamino)-5-nitro-4-pyrimidinyl]acetohydrazide IUPAC Name: 2-(2,4-dichlorophenoxy)-N'-[6-(hexadecylamino)-5-nitropyrimidin-4-yl]acetohydrazide Traditional Name: N'-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide Formula: C28H42Cl2N6O4 MolecularWeight: 597.57688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42Cl2N6O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-31-27-26(36(38)39)28(33-21-32-27)35-34-25(37)20-40-24-17-16-22(29)19-23(24)30/h16-17,19,21H,2-15,18,20H2,1H3,(H,34,37)(H2,31,32,33,35)