6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-chloro-4-fluoro-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(3-chloro-4-fluorophenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-chloro-4-fluorophenyl)-5-nitropyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C22H20ClFN6O4 MolecularWeight: 486.883403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=CC(=C(C=C5)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=CC(=C(C=C5)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H20ClFN6O4/c23-16-10-15(2-3-17(16)24)27-21-20(30(31)32)22(26-12-25-21)29-7-5-28(6-8-29)11-14-1-4-18-19(9-14)34-13-33-18/h1-4,9-10,12H,5-8,11,13H2,(H,25,26,27)