9-fluoranyl-3-[(4-methoxyphenyl)methyl]-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 9-fluoranyl-3-[(4-methoxyphenyl)methyl]-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 9-fluoro-3-[(4-methoxyphenyl)methyl]-2-phenacylsulfanyl-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 9-fluoro-3-[(4-methoxyphenyl)methyl]-2-(phenacylthio)-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 9-fluoro-3-[(4-methoxyphenyl)methyl]-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 9-fluoro-3-p-anisyl-2-(phenacylthio)benzothiopheno[3,2-d]pyrimidin-4-one Formula: C26H19FN2O3S2 MolecularWeight: 490.569063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(C=CC=C4S3)F)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(C=CC=C4S3)F)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H19FN2O3S2/c1-32-18-12-10-16(11-13-18)14-29-25(31)24-23(22-19(27)8-5-9-21(22)34-24)28-26(29)33-15-20(30)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3