N'-[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]-2,2-diphenyl-ethanehydrazide

Systemtic Name: N'-[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]-2,2-diphenyl-ethanehydrazide Openeye Name: N'-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]-2,2-diphenyl-acetohydrazide CAS Name: N'-[6-(butan-2-ylamino)-5-nitro-4-pyrimidinyl]-2,2-diphenylacetohydrazide IUPAC Name: N'-[6-(butan-2-ylamino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide Traditional Name: N'-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]-2,2-diphenyl-acetohydrazide Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=NC=N1)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C(=NC=N1)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3/c1-3-15(2)25-20-19(28(30)31)21(24-14-23-20)26-27-22(29)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15,18H,3H2,1-2H3,(H,27,29)(H2,23,24,25,26)