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3-(4-Chlorophenyl)-2-(prop-2-ynylamino)-4-pteridinone
SpectraBase Compound ID KzQ9pxvFlWo
InChI InChI=1S/C15H10ClN5O/c1-2-7-19-15-20-13-12(17-8-9-18-13)14(22)21(15)11-5-3-10(16)4-6-11/h1,3-6,8-9H,7H2,(H,18,19,20)
InChIKey UFFJWDDODSFQFZ-UHFFFAOYSA-N
Mol Weight 311.73 g/mol
Molecular Formula C15H10ClN5O
Exact Mass 311.057388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9scCtmrQLEO
Name 3-(4-Chlorophenyl)-2-(prop-2-ynylamino)-4-pteridinone
Alternate Name(s) 3-(4-Chlorophenyl)-2-(prop-2-ynylamino)pteridin-4-one 3-(4-Chlorophenyl)-2-(propargylamino)pteridin-4-one
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Formula C15H10ClN5O
InChI InChI=1S/C15H10ClN5O/c1-2-7-19-15-20-13-12(17-8-9-18-13)14(22)21(15)11-5-3-10(16)4-6-11/h1,3-6,8-9H,7H2,(H,18,19,20)
InChIKey UFFJWDDODSFQFZ-UHFFFAOYSA-N
Molecular Weight 311.732 g/mol
SMILES N(C=1N(C(c2c(nccn2)N1)=O)c1ccc(cc1)Cl)CC#C
SPLASH splash10-001i-0192000000-766607ed1c3f4509724d
Source of Spectrum KC-0-253-12
Wiley ID 785115