[4-[3,3-bis(4-fluorophenyl)-4-methyl-piperazin-1-yl]-3-propylsulfanyl-4H-pyrimidin-2-yl] ethanoate

Systemtic Name: [4-[3,3-bis(4-fluorophenyl)-4-methyl-piperazin-1-yl]-3-propylsulfanyl-4H-pyrimidin-2-yl] ethanoate Openeye Name: [4-[3,3-bis(4-fluorophenyl)-4-methyl-piperazin-1-yl]-3-propylsulfanyl-4H-pyrimidin-2-yl] acetate CAS Name: acetic acid [4-[3,3-bis(4-fluorophenyl)-4-methyl-1-piperazinyl]-3-(propylthio)-4H-pyrimidin-2-yl] ester IUPAC Name: [4-[3,3-bis(4-fluorophenyl)-4-methylpiperazin-1-yl]-3-propylsulfanyl-4H-pyrimidin-2-yl] acetate Traditional Name: acetic acid [4-[3,3-bis(4-fluorophenyl)-4-methyl-piperazino]-3-(propylthio)-4H-pyrimidin-2-yl] ester Formula: C26H30F2N4O2S MolecularWeight: 500.603806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C(C=CN=C1OC(=O)C)N2CCN(C(C2)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C

Isomeric SMILES

CCCSN1C(C=CN=C1OC(=O)C)N2CCN(C(C2)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H30F2N4O2S/c1-4-17-35-32-24(13-14-29-25(32)34-19(2)33)31-16-15-30(3)26(18-31,20-5-9-22(27)10-6-20)21-7-11-23(28)12-8-21/h5-14,24H,4,15-18H2,1-3H3