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

Systemtic Name: N-(2,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(2,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (2,4-dimethoxyphenyl)-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H23FN6O4 MolecularWeight: 454.454223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C22H23FN6O4/c1-32-17-7-8-18(19(13-17)33-2)26-21-20(29(30)31)22(25-14-24-21)28-11-9-27(10-12-28)16-5-3-15(23)4-6-16/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,26)