2-(5-bromanyl-7-fluoranyl-4-pyrimidin-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)ethanoic acid

Systemtic Name: 2-(5-bromanyl-7-fluoranyl-4-pyrimidin-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)ethanoic acid Openeye Name: 2-(5-bromo-7-fluoro-4-pyrimidin-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetic acid CAS Name: 2-[5-bromo-7-fluoro-4-(2-pyrimidinylthio)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid IUPAC Name: 2-(5-bromo-7-fluoro-4-pyrimidin-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetic acid Traditional Name: 2-[5-bromo-7-fluoro-4-(2-pyrimidylthio)-2,3-dihydro-1H-pyrrol[1,2-a]indol-3-yl]acetic acid Formula: C17H13BrFN3O2S MolecularWeight: 422.271423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C3=CC(=CC(=C3C(=C2C1CC(=O)O)SC4=NC=CC=N4)Br)F

Isomeric SMILES

C1CN2C3=CC(=CC(=C3C(=C2C1CC(=O)O)SC4=NC=CC=N4)Br)F

InChI

InChI=1S/C17H13BrFN3O2S/c18-11-7-10(19)8-12-14(11)16(25-17-20-3-1-4-21-17)15-9(6-13(23)24)2-5-22(12)15/h1,3-4,7-9H,2,5-6H2,(H,23,24)