2,4-bis(chloranyl)-N'-[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: 2,4-bis(chloranyl)-N'-[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 2,4-dichloro-N'-[6-(isopentylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 2,4-dichloro-N'-[6-(3-methylbutylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 2,4-dichloro-N'-[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 2,4-dichloro-N'-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C16H18Cl2N6O3 MolecularWeight: 413.25852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18Cl2N6O3/c1-9(2)5-6-19-14-13(24(26)27)15(21-8-20-14)22-23-16(25)11-4-3-10(17)7-12(11)18/h3-4,7-9H,5-6H2,1-2H3,(H,23,25)(H2,19,20,21,22)