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

Systemtic Name: 3-chloranyl-N'-[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 3-chloro-N'-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 3-chloro-N'-[6-[2-(4-morpholinyl)ethylamino]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-chloro-N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 3-chloro-N'-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C17H20ClN7O4 MolecularWeight: 421.8382

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCNC2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN7O4/c18-13-3-1-2-12(10-13)17(26)23-22-16-14(25(27)28)15(20-11-21-16)19-4-5-24-6-8-29-9-7-24/h1-3,10-11H,4-9H2,(H,23,26)(H2,19,20,21,22)