4-bromanyl-N'-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: 4-bromanyl-N'-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 4-bromo-N'-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 4-bromo-N'-[6-[4-(2-hydroxyethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-bromo-N'-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 4-bromo-N'-[6-[4-(2-hydroxyethyl)piperazino]-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C17H20BrN7O4 MolecularWeight: 466.2892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H20BrN7O4/c18-13-3-1-12(2-4-13)17(27)22-21-15-14(25(28)29)16(20-11-19-15)24-7-5-23(6-8-24)9-10-26/h1-4,11,26H,5-10H2,(H,22,27)(H,19,20,21)