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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN7O4/c19-14-4-1-3-13(11-14)18(27)24-23-17-15(26(28)29)16(21-12-22-17)20-5-2-6-25-7-9-30-10-8-25/h1,3-4,11-12H,2,5-10H2,(H,24,27)(H2,20,21,22,23)