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

Systemtic Name: 4-methyl-N'-[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(isopentylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide CAS Name: 4-methyl-N'-[6-(3-methylbutylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-methyl-N'-[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCC(C)C

InChI

InChI=1S/C17H22N6O3/c1-11(2)8-9-18-15-14(23(25)26)16(20-10-19-15)21-22-17(24)13-6-4-12(3)5-7-13/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)(H2,18,19,20,21)