N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-2-methyl-benzohydrazide

Systemtic Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-2-methyl-benzohydrazide Openeye Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-2-methyl-benzohydrazide CAS Name: N'-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]-2-methylbenzohydrazide IUPAC Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide Traditional Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-2-methyl-benzohydrazide Formula: C18H20N8O3 MolecularWeight: 396.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

InChI

InChI=1S/C18H20N8O3/c1-13-5-2-3-6-14(13)18(27)24-23-17-15(26(28)29)16(21-11-22-17)20-7-4-9-25-10-8-19-12-25/h2-3,5-6,8,10-12H,4,7,9H2,1H3,(H,24,27)(H2,20,21,22,23)