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Dimethyl 3-cyano-7-oxo-2,6-diphenyl-6,7-dihydro-2Hpyrazolo[4,3-d]pyrimidin-5-ylphosphonate
SpectraBase Compound ID 7EWQf46DbEc
InChI InChI=1S/C20H16N5O4P/c1-28-30(27,29-2)20-22-17-16(13-21)25(15-11-7-4-8-12-15)23-18(17)19(26)24(20)14-9-5-3-6-10-14/h3-12H,1-2H3
InChIKey NYWOKJSUOWHZFU-UHFFFAOYSA-N
Mol Weight 421.35 g/mol
Molecular Formula C20H16N5O4P
Exact Mass 421.093991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jYOIdeu3pc
Name Dimethyl 3-cyano-7-oxo-2,6-diphenyl-6,7-dihydro-2Hpyrazolo[4,3-d]pyrimidin-5-ylphosphonate
Alternate Name(s) Dimethyl (3-cyano-7-oxo-2,6-diphenyl-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)phosphonate 5-Dimethoxyphosphoryl-7-oxo-2,6-diphenyl-3-pyrazolo[4,3-d]pyrimidinecarbonitrile 5-Dimethoxyphosphoryl-7-oxo-2,6-diphenylpyrazolo[4,3-d]pyrimidine-3-carbonitrile 5-Dimethoxyphosphoryl-7-oxo-2,6-diphenyl-pyrazolo[4,3-d]pyrimidine-3-carbonitrile 5-Dimethoxyphosphoryl-7-oxidanylidene-2,6-diphenyl-pyrazolo[4,3-d]pyrimidine-3-carbonitrile
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Formula C20H16N5O4P
InChI InChI=1S/C20H16N5O4P/c1-28-30(27,29-2)20-22-17-16(13-21)25(15-11-7-4-8-12-15)23-18(17)19(26)24(20)14-9-5-3-6-10-14/h3-12H,1-2H3
InChIKey NYWOKJSUOWHZFU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201200142
Molecular Weight 421.353 g/mol
SMILES C1(=Nc2c([n](nc2C(N1c1ccccc1)=O)-c1ccccc1)C#N)P(OC)(OC)=O
SPLASH splash10-002b-4139100000-e7c8b5c4e6760c976e5d
Source of Spectrum APC-345-891-9a
Wiley ID 1769282