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

Systemtic Name: N'-[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide Openeye Name: 4-methyl-N'-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-(butan-2-ylamino)-5-nitro-4-pyrimidinyl]-4-methylbenzohydrazide IUPAC Name: N'-[6-(butan-2-ylamino)-5-nitropyrimidin-4-yl]-4-methylbenzohydrazide Traditional Name: 4-methyl-N'-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]benzohydrazide Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O3/c1-4-11(3)19-14-13(22(24)25)15(18-9-17-14)20-21-16(23)12-7-5-10(2)6-8-12/h5-9,11H,4H2,1-3H3,(H,21,23)(H2,17,18,19,20)