N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-(hexadecylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(hexadecylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C27H42N6O3 MolecularWeight: 498.66078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42N6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28-25-24(33(35)36)26(30-22-29-25)31-32-27(34)23-19-16-15-17-20-23/h15-17,19-20,22H,2-14,18,21H2,1H3,(H,32,34)(H2,28,29,30,31)