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

Systemtic Name: 2,4-bis(chloranyl)-N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 2,4-dichloro-N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 2,4-dichloro-N'-[6-(hexadecylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 2,4-dichloro-N'-[6-(hexadecylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]-2,4-dichloro-benzohydrazide Formula: C27H40Cl2N6O3 MolecularWeight: 567.5509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40Cl2N6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-30-25-24(35(37)38)26(32-20-31-25)33-34-27(36)22-17-16-21(28)19-23(22)29/h16-17,19-20H,2-15,18H2,1H3,(H,34,36)(H2,30,31,32,33)