3-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylpentane-2,4-dione

Systemtic Name: 3-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylpentane-2,4-dione Openeye Name: 3-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylpentane-2,4-dione CAS Name: 3-[[6-[4-(2-fluorophenyl)-1-piperazinyl]-4-pyrimidinyl]thio]pentane-2,4-dione IUPAC Name: 3-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylpentane-2,4-dione Traditional Name: 3-[[6-[4-(2-fluorophenyl)piperazino]pyrimidin-4-yl]thio]pentane-2,4-dione Formula: C19H21FN4O2S MolecularWeight: 388.459043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NC=NC(=C1)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NC=NC(=C1)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C19H21FN4O2S/c1-13(25)19(14(2)26)27-18-11-17(21-12-22-18)24-9-7-23(8-10-24)16-6-4-3-5-15(16)20/h3-6,11-12,19H,7-10H2,1-2H3