N-(2-ethyl-6-methyl-phenyl)-2-[(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[(8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)thio]acetamide Formula: C21H19FN4OS MolecularWeight: 394.465163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC=NC3=C2NC4=C3C=C(C=C4)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC=NC3=C2NC4=C3C=C(C=C4)F)C

InChI

InChI=1S/C21H19FN4OS/c1-3-13-6-4-5-12(2)18(13)26-17(27)10-28-21-20-19(23-11-24-21)15-9-14(22)7-8-16(15)25-20/h4-9,11,25H,3,10H2,1-2H3,(H,26,27)