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

Systemtic Name: 4-(2-azanylethylamino)-2-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-8H-pteridin-7-one Openeye Name: 4-(2-aminoethylamino)-2-[[2-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]-8H-pteridin-7-one CAS Name: 4-(2-aminoethylamino)-2-[[2-fluoro-3-(trifluoromethyl)phenyl]methylthio]-8H-pteridin-7-one IUPAC Name: 4-(2-aminoethylamino)-2-[[2-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]-8H-pteridin-7-one Traditional Name: 4-(2-aminoethylamino)-2-[[2-fluoro-3-(trifluoromethyl)benzyl]thio]-8H-pteridin-7-one Formula: C16H14F4N6OS MolecularWeight: 414.380573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14F4N6OS/c17-11-8(2-1-3-9(11)16(18,19)20)7-28-15-25-13(22-5-4-21)12-14(26-15)24-10(27)6-23-12/h1-3,6H,4-5,7,21H2,(H2,22,24,25,26,27)