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

Systemtic Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-2-methoxy-benzohydrazide Openeye Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-2-methoxy-benzohydrazide CAS Name: N'-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]-2-methoxybenzohydrazide IUPAC Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide Traditional Name: N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-2-methoxy-benzohydrazide Formula: C18H20N8O4 MolecularWeight: 412.4026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

InChI

InChI=1S/C18H20N8O4/c1-30-14-6-3-2-5-13(14)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)