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

Systemtic Name: N'-[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(isopentylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-(3-methylbutylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C(=NC=N1)NNC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C(=NC=N1)NNC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3/c1-11(2)8-9-17-14-13(22(24)25)15(19-10-18-14)20-21-16(23)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,21,23)(H2,17,18,19,20)