N-(5-chloranyl-2-methyl-phenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2-methyl-phenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2-methylphenyl)-6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2-methylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2-methyl-phenyl)-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H20ClFN6O2 MolecularWeight: 442.873903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20ClFN6O2/c1-14-2-3-15(22)12-18(14)26-20-19(29(30)31)21(25-13-24-20)28-10-8-27(9-11-28)17-6-4-16(23)5-7-17/h2-7,12-13H,8-11H2,1H3,(H,24,25,26)