2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[2-(4-fluorophenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]thio]-1-piperidino-ethanone Formula: C25H24FN3O2S MolecularWeight: 449.540363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C2)C(=NC(=N3)C4=CC=C(C=C4)F)SCC(=O)N5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C2)C(=NC(=N3)C4=CC=C(C=C4)F)SCC(=O)N5CCCCC5

InChI

InChI=1S/C25H24FN3O2S/c1-16-5-10-21-18(13-16)14-20-24(31-21)27-23(17-6-8-19(26)9-7-17)28-25(20)32-15-22(30)29-11-3-2-4-12-29/h5-10,13H,2-4,11-12,14-15H2,1H3