2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-bromanyl-7-oxidanylidene-8H-pteridine-6-carboxylic acid

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-bromanyl-7-oxidanylidene-8H-pteridine-6-carboxylic acid Openeye Name: 4-bromo-2-[(2,3-difluorophenyl)methylsulfanyl]-7-oxo-8H-pteridine-6-carboxylic acid CAS Name: 4-bromo-2-[(2,3-difluorophenyl)methylthio]-7-oxo-8H-pteridine-6-carboxylic acid IUPAC Name: 4-bromo-2-[(2,3-difluorophenyl)methylsulfanyl]-7-oxo-8H-pteridine-6-carboxylic acid Traditional Name: 4-bromo-2-[(2,3-difluorobenzyl)thio]-7-keto-8H-pteridine-6-carboxylic acid Formula: C14H7BrF2N4O3S MolecularWeight: 429.196186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)F)CSC2=NC3=C(C(=N2)Br)N=C(C(=O)N3)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)F)F)CSC2=NC3=C(C(=N2)Br)N=C(C(=O)N3)C(=O)O

InChI

InChI=1S/C14H7BrF2N4O3S/c15-10-8-11(20-12(22)9(18-8)13(23)24)21-14(19-10)25-4-5-2-1-3-6(16)7(5)17/h1-3H,4H2,(H,23,24)(H,19,20,21,22)