N'-[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]-4-chloranyl-benzohydrazide

Systemtic Name: N'-[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]-4-chloranyl-benzohydrazide Openeye Name: 4-chloro-N'-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-(butan-2-ylamino)-5-nitro-4-pyrimidinyl]-4-chlorobenzohydrazide IUPAC Name: N'-[6-(butan-2-ylamino)-5-nitropyrimidin-4-yl]-4-chlorobenzohydrazide Traditional Name: 4-chloro-N'-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]benzohydrazide Formula: C15H17ClN6O3 MolecularWeight: 364.78688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=NC=N1)NNC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C(=NC=N1)NNC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClN6O3/c1-3-9(2)19-13-12(22(24)25)14(18-8-17-13)20-21-15(23)10-4-6-11(16)7-5-10/h4-9H,3H2,1-2H3,(H,21,23)(H2,17,18,19,20)