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

Systemtic Name: 2-[[2-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 1-(1-piperidyl)-2-[[2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanone CAS Name: 2-[[2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[2-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 1-piperidino-2-[[2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]thio]ethanone Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(CC4=CC=CC=C4O3)C(=N2)SCC(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(CC4=CC=CC=C4O3)C(=N2)SCC(=O)N5CCCCC5

InChI

InChI=1S/C25H25N3O2S/c1-17-9-11-18(12-10-17)23-26-24-20(15-19-7-3-4-8-21(19)30-24)25(27-23)31-16-22(29)28-13-5-2-6-14-28/h3-4,7-12H,2,5-6,13-16H2,1H3