N-(3-chloranyl-4-fluoranyl-phenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H22ClFN6O2 MolecularWeight: 456.900483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C22H22ClFN6O2/c1-14-4-3-5-19(15(14)2)28-8-10-29(11-9-28)22-20(30(31)32)21(25-13-26-22)27-16-6-7-18(24)17(23)12-16/h3-7,12-13H,8-11H2,1-2H3,(H,25,26,27)