2-[(2-fluoranyl-5-methyl-phenyl)methylsulfanyl]-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one

Systemtic Name: 2-[(2-fluoranyl-5-methyl-phenyl)methylsulfanyl]-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one Openeye Name: 2-[(2-fluoro-5-methyl-phenyl)methylsulfanyl]-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one CAS Name: 2-[(2-fluoro-5-methylphenyl)methylthio]-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one IUPAC Name: 2-[(2-fluoro-5-methylphenyl)methylsulfanyl]-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one Traditional Name: 2-[(2-fluoro-5-methyl-benzyl)thio]-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one Formula: C17H18FN5O2S MolecularWeight: 375.420523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)CSC2=NC3=C(C(=N2)NC(C)CO)N=CC(=O)N3

Isomeric SMILES

CC1=CC(=C(C=C1)F)CSC2=NC3=C(C(=N2)NC(C)CO)N=CC(=O)N3

InChI

InChI=1S/C17H18FN5O2S/c1-9-3-4-12(18)11(5-9)8-26-17-22-15(20-10(2)7-24)14-16(23-17)21-13(25)6-19-14/h3-6,10,24H,7-8H2,1-2H3,(H2,20,21,22,23,25)