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2,7-Diamino-5-(3-bromophenyl)-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile

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2,7-Diamino-5-(3-bromophenyl)-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
SpectraBase Compound ID 7DwGJbmftol
InChI InChI=1S/C14H11BrN6O/c15-7-3-1-2-6(4-7)9-8(5-16)11(17)19-12-10(9)13(22)21-14(18)20-12/h1-4,9H,17H2,(H4,18,19,20,21,22)
InChIKey DLAKZUCBUSYDBJ-UHFFFAOYSA-N
Mol Weight 359.19 g/mol
Molecular Formula C14H11BrN6O
Exact Mass 358.017772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HRxXoEWnvkq
Name 2,7-Diamino-5-(3-bromophenyl)-4-oxo-3,4,5,8-tetrahydropyrido[2,3-D]pyrimidine-6-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.017771997 u
Formula C14H11BrN6O
InChI InChI=1S/C14H11BrN6O/c15-7-3-1-2-6(4-7)9-8(5-16)11(17)19-12-10(9)13(22)21-14(18)20-12/h1-4,9H,17H2,(H4,18,19,20,21,22)
InChIKey DLAKZUCBUSYDBJ-UHFFFAOYSA-N
Molecular Weight 359.187 g/mol
SMILES C1(N)=C(C(C2=C(N=C(NC2=O)N)N1)C1=CC(=CC=C1)Br)C#N