6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N-(4-fluorophenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(4-fluorophenyl)amine Formula: C20H18ClFN6O2 MolecularWeight: 428.847323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClFN6O2/c21-14-2-1-3-17(12-14)26-8-10-27(11-9-26)20-18(28(29)30)19(23-13-24-20)25-16-6-4-15(22)5-7-16/h1-7,12-13H,8-11H2,(H,23,24,25)