4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidine Formula: C22H21ClFN5O3 MolecularWeight: 457.885243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H21ClFN5O3/c1-14-11-16(12-15(2)19(14)23)32-22-20(29(30)31)21(25-13-26-22)28-9-7-27(8-10-28)18-6-4-3-5-17(18)24/h3-6,11-13H,7-10H2,1-2H3