3-(2-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(2-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2-fluorophenyl)-2-(3-pyridylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-fluorophenyl)-2-(3-pyridinylmethylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2-fluorophenyl)-2-(3-pyridylmethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C22H15FN4OS MolecularWeight: 402.444103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC4=CN=CC=C4)C5=CC=CC=C5F

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC4=CN=CC=C4)C5=CC=CC=C5F

InChI

InChI=1S/C22H15FN4OS/c23-16-8-2-4-10-18(16)27-21(28)20-19(15-7-1-3-9-17(15)25-20)26-22(27)29-13-14-6-5-11-24-12-14/h1-12,25H,13H2