2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-4-(2-hydroxyethylamino)-8H-pteridin-7-one

Systemtic Name: 2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-4-(2-hydroxyethylamino)-8H-pteridin-7-one Openeye Name: 2-[(3-chloro-2-fluoro-phenyl)methylsulfanyl]-4-(2-hydroxyethylamino)-8H-pteridin-7-one CAS Name: 2-[(3-chloro-2-fluorophenyl)methylthio]-4-(2-hydroxyethylamino)-8H-pteridin-7-one IUPAC Name: 2-[(3-chloro-2-fluorophenyl)methylsulfanyl]-4-(2-hydroxyethylamino)-8H-pteridin-7-one Traditional Name: 2-[(3-chloro-2-fluoro-benzyl)thio]-4-(2-hydroxyethylamino)-8H-pteridin-7-one Formula: C15H13ClFN5O2S MolecularWeight: 381.812423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClFN5O2S/c16-9-3-1-2-8(11(9)17)7-25-15-21-13(18-4-5-23)12-14(22-15)20-10(24)6-19-12/h1-3,6,23H,4-5,7H2,(H2,18,20,21,22,24)