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

Systemtic Name: 3-chloranyl-N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 3-chloro-N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 3-chloro-N'-[6-(hexadecylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-chloro-N'-[6-(hexadecylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]-3-chloro-benzohydrazide Formula: C27H41ClN6O3 MolecularWeight: 533.10584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41ClN6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-29-25-24(34(36)37)26(31-21-30-25)32-33-27(35)22-17-16-18-23(28)20-22/h16-18,20-21H,2-15,19H2,1H3,(H,33,35)(H2,29,30,31,32)