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

Systemtic Name: N-(4-butoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C24H27FN6O3 MolecularWeight: 466.507983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FN6O3/c1-2-3-16-34-21-10-6-19(7-11-21)28-23-22(31(32)33)24(27-17-26-23)30-14-12-29(13-15-30)20-8-4-18(25)5-9-20/h4-11,17H,2-3,12-16H2,1H3,(H,26,27,28)