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2,4-Diamino-5-(5-hydroxy-3-methyl-1H-pyrazol-4-yl)-7,9-diiodo-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SpectraBase Compound ID 2rjBPSzyyTf
InChI InChI=1S/C17H12I2N6O2/c1-5-10(16(26)25-24-5)11-7-2-6(18)3-9(19)14(7)27-17-12(11)13(21)8(4-20)15(22)23-17/h2-3,11H,1H3,(H4,21,22,23)(H2,24,25,26)
InChIKey YZOVBVMLTKHYJB-UHFFFAOYSA-N
Mol Weight 586.13 g/mol
Molecular Formula C17H12I2N6O2
Exact Mass 585.911114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1L13xvAieOf
Name 2,4-Diamino-5-(5-hydroxy-3-methyl-1H-pyrazol-4-yl)-7,9-diiodo-5H-chromeno[2,3-b]pyridine-3-carbonitrile
Appearance Yellowish solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12I2N6O2
InChI InChI=1S/C17H12I2N6O2/c1-5-10(16(26)25-24-5)11-7-2-6(18)3-9(19)14(7)27-17-12(11)13(21)8(4-20)15(22)23-17/h2-3,11H,1H3,(H4,21,22,23)(H2,24,25,26)
InChIKey YZOVBVMLTKHYJB-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4215
Molecular Weight 586.132 g/mol
Reported Formula C17H12I2N6O2
SMILES Nc1c(c(c2c(Oc3c(cc(cc3C2c2c([nH]nc2C)O)I)I)n1)N)C#N
SPLASH splash10-002k-9000000000-f676e57199072dc17f4f
Source of Spectrum Y-58-801-3d
Wiley ID 1880902