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5-(3-nitrophenyl)-5,7,8,9-tetrahydro-11H-pyrimido[2,1-b]pteridin-11-one
SpectraBase Compound ID KTYpESSS9eE
InChI InChI=1S/C15H12N6O3/c22-14-12-13(17-7-6-16-12)20(15-18-5-2-8-19(14)15)10-3-1-4-11(9-10)21(23)24/h1,3-4,6-7,9H,2,5,8H2
InChIKey GDAPLTCYMVOOSN-UHFFFAOYSA-N
Mol Weight 324.3 g/mol
Molecular Formula C15H12N6O3
Exact Mass 324.097088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEaHYjQAfKX
Name 5-(3-nitrophenyl)-5,7,8,9-tetrahydro-11H-pyrimido[2,1-b]pteridin-11-one
Alternate Name(s) 11-(3'-Nitrophenyl)-2,3,4,11-tetrahydropyrimido[1,2-a]pyrazino[2,3-d]pyrimidin-6(6H)-one
Comments Less than 3 mono-isotopic peaks
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Formula C15H12N6O3
InChI InChI=1S/C15H12N6O3/c22-14-12-13(17-7-6-16-12)20(15-18-5-2-8-19(14)15)10-3-1-4-11(9-10)21(23)24/h1,3-4,6-7,9H,2,5,8H2
InChIKey GDAPLTCYMVOOSN-UHFFFAOYSA-N
Molecular Weight 324.300 g/mol
SMILES C=12N(c3nccnc3C(N2CCCN1)=O)c1cc(N(=O)=O)ccc1
SPLASH splash10-00di-0039000000-5b5b68bf97d7b01ca7f2
Source of Spectrum G-58-1145-0
Wiley ID 748680