2-[[2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-7-oxidanylidene-8H-pteridin-4-yl]amino]propylcarbamic acid

Systemtic Name: 2-[[2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-7-oxidanylidene-8H-pteridin-4-yl]amino]propylcarbamic acid Openeye Name: 2-[[2-[(3-chloro-2-fluoro-phenyl)methylsulfanyl]-7-oxo-8H-pteridin-4-yl]amino]propylcarbamic acid CAS Name: 2-[[2-[(3-chloro-2-fluorophenyl)methylthio]-7-oxo-8H-pteridin-4-yl]amino]propylcarbamic acid IUPAC Name: 2-[[2-[(3-chloro-2-fluorophenyl)methylsulfanyl]-7-oxo-8H-pteridin-4-yl]amino]propylcarbamic acid Traditional Name: 2-[[2-[(3-chloro-2-fluoro-benzyl)thio]-7-keto-8H-pteridin-4-yl]amino]propylcarbamic acid Formula: C17H16ClFN6O3S MolecularWeight: 438.863743

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)O)NC1=NC(=NC2=C1N=CC(=O)N2)SCC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CC(CNC(=O)O)NC1=NC(=NC2=C1N=CC(=O)N2)SCC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C17H16ClFN6O3S/c1-8(5-21-17(27)28)22-14-13-15(23-11(26)6-20-13)25-16(24-14)29-7-9-3-2-4-10(18)12(9)19/h2-4,6,8,21H,5,7H2,1H3,(H,27,28)(H2,22,23,24,25,26)