N'-[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide

Systemtic Name: N'-[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Openeye Name: N'-[6-(isopentylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide CAS Name: N'-[6-(3-methylbutylamino)-5-nitro-4-pyrimidinyl]-1-naphthalenecarbohydrazide IUPAC Name: N'-[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide Traditional Name: N'-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C(=NC=N1)NNC(=O)C2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C(=NC=N1)NNC(=O)C2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O3/c1-13(2)10-11-21-18-17(26(28)29)19(23-12-22-18)24-25-20(27)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,12-13H,10-11H2,1-2H3,(H,25,27)(H2,21,22,23,24)