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

Systemtic Name: 3-chloranyl-N'-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 3-chloro-N'-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 3-chloro-N'-[6-[4-(2-hydroxyethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-chloro-N'-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 3-chloro-N'-[6-[4-(2-hydroxyethyl)piperazino]-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C17H20ClN7O4 MolecularWeight: 421.8382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN7O4/c18-13-3-1-2-12(10-13)17(27)22-21-15-14(25(28)29)16(20-11-19-15)24-6-4-23(5-7-24)8-9-26/h1-3,10-11,26H,4-9H2,(H,22,27)(H,19,20,21)