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

Systemtic Name: 2-[[7-chloranyl-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[7-chloro-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[7-chloro-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[7-chloro-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[7-chloro-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]thio]-1-piperidino-ethanone Formula: C25H24ClN3O3S MolecularWeight: 481.99436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C=CC(=C4)Cl)C(=N2)SCC(=O)N5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C=CC(=C4)Cl)C(=N2)SCC(=O)N5CCCCC5

InChI

InChI=1S/C25H24ClN3O3S/c1-31-19-8-5-16(6-9-19)23-27-24-20(14-17-13-18(26)7-10-21(17)32-24)25(28-23)33-15-22(30)29-11-3-2-4-12-29/h5-10,13H,2-4,11-12,14-15H2,1H3