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2-Amino-7-(4-nitro-phenyl)-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one
SpectraBase Compound ID LF8U7SKP3hp
InChI InChI=1S/C19H13N5O3/c20-19-22-17-16(18(25)23-19)14(11-4-2-1-3-5-11)10-15(21-17)12-6-8-13(9-7-12)24(26)27/h1-10H,(H3,20,21,22,23,25)
InChIKey JAUTUCNYAJWKEF-UHFFFAOYSA-N
Mol Weight 359.35 g/mol
Molecular Formula C19H13N5O3
Exact Mass 359.101839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6QAtRfwhxGc
Name 2-Amino-7-(4-nitro-phenyl)-5-phenyl-3H-pyrido[2,3-D]pyrimidin-4-one
Comments Computed using HOSE algorithm
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Exact Mass 359.101839296 u
Formula C19H13N5O3
InChI InChI=1S/C19H13N5O3/c20-19-22-17-16(18(25)23-19)14(11-4-2-1-3-5-11)10-15(21-17)12-6-8-13(9-7-12)24(26)27/h1-10H,(H3,20,21,22,23,25)
InChIKey JAUTUCNYAJWKEF-UHFFFAOYSA-N
Molecular Weight 359.345 g/mol
SMILES C1=2N=C(NC(C2C(C=2C=CC=CC2)=CC(=N1)C=1C=CC(N(=O)=O)=CC1)=O)N