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

Systemtic Name: 3-chloranyl-N'-[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 3-chloro-N'-[6-(isopentylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 3-chloro-N'-[6-(3-methylbutylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-chloro-N'-[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 3-chloro-N'-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C16H19ClN6O3 MolecularWeight: 378.81346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN6O3/c1-10(2)6-7-18-14-13(23(25)26)15(20-9-19-14)21-22-16(24)11-4-3-5-12(17)8-11/h3-5,8-10H,6-7H2,1-2H3,(H,22,24)(H2,18,19,20,21)