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

Systemtic Name: N'-[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: N'-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: N'-[6-[3-(4-morpholinyl)propylamino]-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: N'-[6-(3-morpholin-4-ylpropylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: N'-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]-3-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(13-3-1-4-14(11-13)25(28)29)23-22-17-15(26(30)31)16(20-12-21-17)19-5-2-6-24-7-9-32-10-8-24/h1,3-4,11-12H,2,5-10H2,(H,23,27)(H2,19,20,21,22)