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

Systemtic Name: 2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one Openeye Name: 2-[(3-chloro-2-fluoro-phenyl)methylsulfanyl]-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one CAS Name: 2-[(3-chloro-2-fluorophenyl)methylthio]-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one IUPAC Name: 2-[(3-chloro-2-fluorophenyl)methylsulfanyl]-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one Traditional Name: 2-[(3-chloro-2-fluoro-benzyl)thio]-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one Formula: C16H15ClFN5O2S MolecularWeight: 395.839003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClFN5O2S/c1-8(6-24)20-14-13-15(21-11(25)5-19-13)23-16(22-14)26-7-9-3-2-4-10(17)12(9)18/h2-5,8,24H,6-7H2,1H3,(H2,20,21,22,23,25)