N'-[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide

Systemtic Name: N'-[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide Openeye Name: N'-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide CAS Name: N'-[6-[3-(4-morpholinyl)propylamino]-5-nitro-4-pyrimidinyl]-2-nitrobenzohydrazide IUPAC Name: N'-[6-(3-morpholin-4-ylpropylamino)-5-nitropyrimidin-4-yl]-2-nitrobenzohydrazide Traditional Name: N'-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide Formula: C18H22N8O6 MolecularWeight: 446.41728

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCNC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H22N8O6/c27-18(13-4-1-2-5-14(13)25(28)29)23-22-17-15(26(30)31)16(20-12-21-17)19-6-3-7-24-8-10-32-11-9-24/h1-2,4-5,12H,3,6-11H2,(H,23,27)(H2,19,20,21,22)