2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(3-methoxyphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C24H17ClFN3O2S MolecularWeight: 465.927083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=C(C=CC=C5Cl)F

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C24H17ClFN3O2S/c1-31-15-7-4-6-14(12-15)29-23(30)22-21(16-8-2-3-11-20(16)27-22)28-24(29)32-13-17-18(25)9-5-10-19(17)26/h2-12,27H,13H2,1H3