3-(4-fluorophenyl)-4-[2-[(4-nitrophenyl)amino]pyrimidin-4-yl]piperazin-2-one

Systemtic Name: 3-(4-fluorophenyl)-4-[2-[(4-nitrophenyl)amino]pyrimidin-4-yl]piperazin-2-one Openeye Name: 3-(4-fluorophenyl)-4-[2-(4-nitroanilino)pyrimidin-4-yl]piperazin-2-one CAS Name: 3-(4-fluorophenyl)-4-[2-(4-nitroanilino)-4-pyrimidinyl]-2-piperazinone IUPAC Name: 3-(4-fluorophenyl)-4-[2-(4-nitroanilino)pyrimidin-4-yl]piperazin-2-one Traditional Name: 3-(4-fluorophenyl)-4-[2-(4-nitroanilino)pyrimidin-4-yl]piperazin-2-one Formula: C20H17FN6O3 MolecularWeight: 408.385783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(C(=O)N1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17FN6O3/c21-14-3-1-13(2-4-14)18-19(28)22-11-12-26(18)17-9-10-23-20(25-17)24-15-5-7-16(8-6-15)27(29)30/h1-10,18H,11-12H2,(H,22,28)(H,23,24,25)