N'-[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)ethanehydrazide

Systemtic Name: N'-[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)ethanehydrazide Openeye Name: N'-[6-(isopentylamino)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide CAS Name: N'-[6-(3-methylbutylamino)-5-nitro-4-pyrimidinyl]-2-(4-nitrophenyl)acetohydrazide IUPAC Name: N'-[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide Traditional Name: N'-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide Formula: C17H21N7O5 MolecularWeight: 403.39254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C(=NC=N1)NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C(=NC=N1)NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H21N7O5/c1-11(2)7-8-18-16-15(24(28)29)17(20-10-19-16)22-21-14(25)9-12-3-5-13(6-4-12)23(26)27/h3-6,10-11H,7-9H2,1-2H3,(H,21,25)(H2,18,19,20,22)