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

Systemtic Name: 3-(2-fluorophenyl)-2-(3-methylbutylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2-fluorophenyl)-2-isopentylsulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-fluorophenyl)-2-(3-methylbutylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-fluorophenyl)-2-(3-methylbutylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2-fluorophenyl)-2-(isoamylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H20FN3OS MolecularWeight: 381.466403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3F)NC4=CC=CC=C42

Isomeric SMILES

CC(C)CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3F)NC4=CC=CC=C42

InChI

InChI=1S/C21H20FN3OS/c1-13(2)11-12-27-21-24-18-14-7-3-5-9-16(14)23-19(18)20(26)25(21)17-10-6-4-8-15(17)22/h3-10,13,23H,11-12H2,1-2H3