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3,6,8-Trimethyl-5,7-dioxo-5,6,7,8-tetrahydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-4-yl benzoate
SpectraBase Compound ID CIIVcHNz6Vd
InChI InChI=1S/C18H15N5O4/c1-9-11-13(27-17(25)10-7-5-4-6-8-10)12-15(19-14(11)21-20-9)22(2)18(26)23(3)16(12)24/h4-8H,1-3H3,(H,19,20,21)
InChIKey RYBWDGAALCAZQR-UHFFFAOYSA-N
Mol Weight 365.35 g/mol
Molecular Formula C18H15N5O4
Exact Mass 365.112404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zS5NJksmWX
Name 3,6,8-Trimethyl-5,7-dioxo-5,6,7,8-tetrahydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-4-yl benzoate
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Formula C18H15N5O4
InChI InChI=1S/C18H15N5O4/c1-9-11-13(27-17(25)10-7-5-4-6-8-10)12-15(19-14(11)21-20-9)22(2)18(26)23(3)16(12)24/h4-8H,1-3H3,(H,19,20,21)
InChIKey RYBWDGAALCAZQR-UHFFFAOYSA-N
Molecular Weight 365.349 g/mol
SMILES [nH]1nc(c2c1nc1c(c2OC(=O)c2ccccc2)C(N(C(N1C)=O)C)=O)C
SPLASH splash10-0a4i-7912000000-115d39692bcded5f3e2f
Synonyms Benzoic acid (3,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydro-1H-1,2,6,8,9-pentaazacyclopenta[b]naphthalen-4-yl) ester benzoic acid (3,6,8-trimethyl-5,7-dioxo-2H-pyrazolo[1,2]pyrido[4,5-b]pyrimidin-4-yl) ester (3,6,8-trimethyl-5,7-dioxo-2H-pyrazolo[1,2]pyrido[4,5-b]pyrimidin-4-yl) benzoate [3,6,8-trimethyl-5,7-bis(oxidanylidene)-2H-pyrazolo[1,2]pyrido[4,5-b]pyrimidin-4-yl] benzoate
Wiley ID 1437261