N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2,4-bis(chloranyl)benzohydrazide

Systemtic Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2,4-bis(chloranyl)benzohydrazide Openeye Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2,4-dichloro-benzohydrazide CAS Name: N'-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-2,4-dichlorobenzohydrazide IUPAC Name: N'-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-2,4-dichlorobenzohydrazide Traditional Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2,4-dichloro-benzohydrazide Formula: C17H18Cl2N6O3 MolecularWeight: 425.26922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18Cl2N6O3/c18-11-5-6-12(13(19)9-11)17(26)23-22-15-14(25(27)28)16(21-10-20-15)24-7-3-1-2-4-8-24/h5-6,9-10H,1-4,7-8H2,(H,23,26)(H,20,21,22)