N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]-2-methyl-benzohydrazide

Systemtic Name: N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]-2-methyl-benzohydrazide Openeye Name: N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]-2-methyl-benzohydrazide CAS Name: N'-[6-(hexadecylamino)-5-nitro-4-pyrimidinyl]-2-methylbenzohydrazide IUPAC Name: N'-[6-(hexadecylamino)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide Traditional Name: N'-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]-2-methyl-benzohydrazide Formula: C28H44N6O3 MolecularWeight: 512.68736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NNC(=O)C2=CC=CC=C2C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NNC(=O)C2=CC=CC=C2C)[N+](=O)[O-]

InChI

InChI=1S/C28H44N6O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-29-26-25(34(36)37)27(31-22-30-26)32-33-28(35)24-20-17-16-19-23(24)2/h16-17,19-20,22H,3-15,18,21H2,1-2H3,(H,33,35)(H2,29,30,31,32)