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

Systemtic Name: 4-azanyl-2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-7-oxidanylidene-8H-pteridine-6-carboxylic acid Openeye Name: 4-amino-2-[(2,3-difluorophenyl)methylsulfanyl]-7-oxo-8H-pteridine-6-carboxylic acid CAS Name: 4-amino-2-[(2,3-difluorophenyl)methylthio]-7-oxo-8H-pteridine-6-carboxylic acid IUPAC Name: 4-amino-2-[(2,3-difluorophenyl)methylsulfanyl]-7-oxo-8H-pteridine-6-carboxylic acid Traditional Name: 4-amino-2-[(2,3-difluorobenzyl)thio]-7-keto-8H-pteridine-6-carboxylic acid Formula: C14H9F2N5O3S MolecularWeight: 365.314766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9F2N5O3S/c15-6-3-1-2-5(7(6)16)4-25-14-19-10(17)8-11(21-14)20-12(22)9(18-8)13(23)24/h1-3H,4H2,(H,23,24)(H3,17,19,20,21,22)