4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]thiomorpholine

Systemtic Name: 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]thiomorpholine Openeye Name: 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]thiomorpholine CAS Name: 4-[6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]thiomorpholine IUPAC Name: 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]thiomorpholine Traditional Name: 4-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]thiomorpholine Formula: C18H21FN6O2S MolecularWeight: 404.461743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)N4CCSCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)N4CCSCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H21FN6O2S/c19-14-3-1-2-4-15(14)22-5-7-23(8-6-22)17-16(25(26)27)18(21-13-20-17)24-9-11-28-12-10-24/h1-4,13H,5-12H2