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(7Z)-2,4-Diamino-7-[2-(4-chlorophenyl)-2-oxoethylidene]-7,8-dihydro-6(5H)-pteridinone
SpectraBase Compound ID JyTzYNrNuuS
InChI InChI=1S/C14H11ClN6O2/c15-7-3-1-6(2-4-7)9(22)5-8-13(23)19-10-11(16)20-14(17)21-12(10)18-8/h1-5H,(H,19,23)(H5,16,17,18,20,21)/b8-5-
InChIKey JXSZJNZVRXXUQP-YVMONPNESA-N
Mol Weight 330.73 g/mol
Molecular Formula C14H11ClN6O2
Exact Mass 330.063201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8BHm2iDbwB
Name (7Z)-2,4-Diamino-7-[2-(4-chlorophenyl)-2-oxoethylidene]-7,8-dihydro-6(5H)-pteridinone
Alternate Name(s) 4-Amino-7-(p-chlorophenacylidene)-7.8-dihydroxanthopterin
CAS Registry Number 65132-48-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11ClN6O2
InChI InChI=1S/C14H11ClN6O2/c15-7-3-1-6(2-4-7)9(22)5-8-13(23)19-10-11(16)20-14(17)21-12(10)18-8/h1-5H,(H,19,23)(H5,16,17,18,20,21)/b8-5-
InChIKey JXSZJNZVRXXUQP-YVMONPNESA-N
Molecular Weight 330.735 g/mol
SMILES N1C(\C(Nc2c1c(nc(n2)N)N)=C/C(c1ccc(cc1)Cl)=O)=O
SPLASH splash10-000f-0902000000-545ff8d7120837e03665
Source of Spectrum O-12-304-1
Wiley ID 1327491