YD9

(7S)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-5-[(1,2-oxazol-5-yl)methyl]-8-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one


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Chemical Component Summary

Name(7S)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-5-[(1,2-oxazol-5-yl)methyl]-8-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
Identifiers(7~{S})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-7-methyl-5-(1,2-oxazol-5-ylmethyl)-8-prop-2-ynyl-7~{H}-pteridin-6-one
FormulaC20 H16 F2 N6 O3
Molecular Weight426.376
TypeNON-POLYMER
Isomeric SMILESC[C@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F)Cc4ccno4
InChIInChI=1S/C20H16F2N6O3/c1-3-6-27-11(2)19(30)28(10-13-4-5-24-31-13)16-9-23-20(26-18(16)27)25-12-7-14(21)17(29)15(22)8-12/h1,4-5,7-9,11,29H,6,10H2,2H3,(H,23,25,26)/t11-/m0/s1
InChIKeyDFEBWFCZSQPYKA-NSHDSACASA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count1
Bond Count50
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 171922003