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3-Ethyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-4-yl acetate
SpectraBase Compound ID J5RaU6YNpsk
InChI InChI=1S/C14H15N5O4/c1-5-7-8-10(23-6(2)20)9-12(15-11(8)17-16-7)18(3)14(22)19(4)13(9)21/h5H2,1-4H3,(H,15,16,17)
InChIKey DMYHKLKUFKSXRA-UHFFFAOYSA-N
Mol Weight 317.31 g/mol
Molecular Formula C14H15N5O4
Exact Mass 317.112404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1m8l23U07WT
Name 3-Ethyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-4-yl acetate
CAS Registry Number 349498-69-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15N5O4
InChI InChI=1S/C14H15N5O4/c1-5-7-8-10(23-6(2)20)9-12(15-11(8)17-16-7)18(3)14(22)19(4)13(9)21/h5H2,1-4H3,(H,15,16,17)
InChIKey DMYHKLKUFKSXRA-UHFFFAOYSA-N
Molecular Weight 317.305 g/mol
SMILES [nH]1nc(c2c(c3C(N(C(N(c3nc12)C)=O)C)=O)OC(=O)C)CC
SPLASH splash10-00bc-9360000000-852e39bfa56f55a1f8b4
Source of Spectrum AD-0-2532-0
Synonyms 1H-Pyrimido[4,5-b]pyrazolo[4,5-E]pyridine-5,7(6H,8H)-dione, 4-acetoxy-6,8-dimethyl-3-ethyl- Acetic acid (3-ethyl-6,8-dimethyl-5,7-dioxo-2H-pyrazolo[1,2]pyrido[4,5-b]pyrimidin-4-yl) ester (3-ethyl-6,8-dimethyl-5,7-dioxo-2H-pyrazolo[1,2]pyrido[4,5-b]pyrimidin-4-yl) acetate [3-ethyl-6,8-dimethyl-5,7-bis(oxidanylidene)-2H-pyrazolo[1,2]pyrido[4,5-b]pyrimidin-4-yl] ethanoate
Wiley ID 1420067