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2-(4-Chloroanilino)-3-prop-2-enyl-4-pteridinone
SpectraBase Compound ID EGkErG0toJq
InChI InChI=1S/C15H12ClN5O/c1-2-9-21-14(22)12-13(18-8-7-17-12)20-15(21)19-11-5-3-10(16)4-6-11/h2-8H,1,9H2,(H,18,19,20)
InChIKey KEWDRTSIPGFOPW-UHFFFAOYSA-N
Mol Weight 313.75 g/mol
Molecular Formula C15H12ClN5O
Exact Mass 313.073038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID egmh04up3o
Name 2-(4-Chloroanilino)-3-prop-2-enyl-4-pteridinone
Alternate Name(s) 2-(4-Chloroanilino)-3-prop-2-enylpteridin-4-one 2-[(4-chlorophenyl)amino]-3-prop-2-enyl-pteridin-4-one 3-Allyl-2-(4-chloroanilino)pteridin-4-one
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Formula C15H12ClN5O
InChI InChI=1S/C15H12ClN5O/c1-2-9-21-14(22)12-13(18-8-7-17-12)20-15(21)19-11-5-3-10(16)4-6-11/h2-8H,1,9H2,(H,18,19,20)
InChIKey KEWDRTSIPGFOPW-UHFFFAOYSA-N
Molecular Weight 313.748 g/mol
SMILES N(C=1N(C(=O)c2c(N1)nccn2)CC=C)c1ccc(cc1)Cl
SPLASH splash10-03di-1298000000-313e94983dd6fb6957cf
Source of Spectrum KC-0-252-13
Wiley ID 785116