3-(4-bromanyl-2-fluoranyl-phenyl)-1-hexyl-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 3-(4-bromanyl-2-fluoranyl-phenyl)-1-hexyl-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Openeye Name: 3-(4-bromo-2-fluoro-phenyl)-1-hexyl-benzothiopheno[3,2-d]pyrimidine-2,4-dione CAS Name: 3-(4-bromo-2-fluorophenyl)-1-hexyl-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione IUPAC Name: 3-(4-bromo-2-fluorophenyl)-1-hexyl-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Traditional Name: 3-(4-bromo-2-fluoro-phenyl)-1-hexyl-benzothiopheno[3,2-d]pyrimidine-2,4-quinone Formula: C22H20BrFN2O2S MolecularWeight: 475.373803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C(=O)N(C1=O)C3=C(C=C(C=C3)Br)F)SC4=CC=CC=C42

Isomeric SMILES

CCCCCCN1C2=C(C(=O)N(C1=O)C3=C(C=C(C=C3)Br)F)SC4=CC=CC=C42

InChI

InChI=1S/C22H20BrFN2O2S/c1-2-3-4-7-12-25-19-15-8-5-6-9-18(15)29-20(19)21(27)26(22(25)28)17-11-10-14(23)13-16(17)24/h5-6,8-11,13H,2-4,7,12H2,1H3