2-[[3-(2-fluorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[3-(2-fluorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[3-(2-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[3-(2-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-propylacetamide IUPAC Name: 2-[[3-(2-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[3-(2-fluorophenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-propyl-acetamide Formula: C21H19FN4O2S MolecularWeight: 410.464563

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3F)NC4=CC=CC=C42

Isomeric SMILES

CCCNC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3F)NC4=CC=CC=C42

InChI

InChI=1S/C21H19FN4O2S/c1-2-11-23-17(27)12-29-21-25-18-13-7-3-5-9-15(13)24-19(18)20(28)26(21)16-10-6-4-8-14(16)22/h3-10,24H,2,11-12H2,1H3,(H,23,27)