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

Systemtic Name: 4-chloranyl-N'-[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 4-chloro-N'-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 4-chloro-N'-[6-[3-(4-morpholinyl)propylamino]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-chloro-N'-[6-(3-morpholin-4-ylpropylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 4-chloro-N'-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C18H22ClN7O4 MolecularWeight: 435.86478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN7O4/c19-14-4-2-13(3-5-14)18(27)24-23-17-15(26(28)29)16(21-12-22-17)20-6-1-7-25-8-10-30-11-9-25/h2-5,12H,1,6-11H2,(H,24,27)(H2,20,21,22,23)