N'-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide

Systemtic Name: N'-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide Openeye Name: N'-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide CAS Name: N'-[6-(3-methoxypropylamino)-5-nitro-4-pyrimidinyl]-4-methylbenzohydrazide IUPAC Name: N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]-4-methylbenzohydrazide Traditional Name: N'-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide Formula: C16H20N6O4 MolecularWeight: 360.3678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCCOC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCCOC

InChI

InChI=1S/C16H20N6O4/c1-11-4-6-12(7-5-11)16(23)21-20-15-13(22(24)25)14(18-10-19-15)17-8-3-9-26-2/h4-7,10H,3,8-9H2,1-2H3,(H,21,23)(H2,17,18,19,20)