N-(3-chlorophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-chlorophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-chlorophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(3-chlorophenyl)-6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-chlorophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (3-chlorophenyl)-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H18ClFN6O2 MolecularWeight: 428.847323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NC4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NC4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

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