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

Systemtic Name: 2-[(3-fluoranyl-2-methoxy-phenyl)methylsulfanyl]-4-(1-oxidanylpropan-2-ylamino)-8H-pteridin-7-one Openeye Name: 2-[(3-fluoro-2-methoxy-phenyl)methylsulfanyl]-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one CAS Name: 2-[(3-fluoro-2-methoxyphenyl)methylthio]-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one IUPAC Name: 2-[(3-fluoro-2-methoxyphenyl)methylsulfanyl]-4-(1-hydroxypropan-2-ylamino)-8H-pteridin-7-one Traditional Name: 2-[(3-fluoro-2-methoxy-benzyl)thio]-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pteridin-7-one Formula: C17H18FN5O3S MolecularWeight: 391.419923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18FN5O3S/c1-9(7-24)20-15-13-16(21-12(25)6-19-13)23-17(22-15)27-8-10-4-3-5-11(18)14(10)26-2/h3-6,9,24H,7-8H2,1-2H3,(H2,20,21,22,23,25)