2-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one

Systemtic Name: 2-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one Openeye Name: 2-[[2-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one CAS Name: 2-[[2-fluoro-3-(trifluoromethyl)phenyl]methylthio]-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one IUPAC Name: 2-[[2-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one Traditional Name: 2-[[2-fluoro-3-(trifluoromethyl)benzyl]thio]-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one Formula: C17H15F4N5O2S MolecularWeight: 429.391913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F4N5O2S/c1-8(6-27)23-14-13-15(24-11(28)5-22-13)26-16(25-14)29-7-9-3-2-4-10(12(9)18)17(19,20)21/h2-5,8,27H,6-7H2,1H3,(H2,23,24,25,26,28)