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Nicotinic acid, 2-(4-oxo-2-thioxo-1,4-dihydro-2H-pyrido[2,3-d]pyrimidin-3-yl)-, methyl ester
SpectraBase Compound ID 4GFs7KOuF3M
InChI InChI=1S/C14H10N4O3S/c1-21-13(20)9-5-3-7-16-11(9)18-12(19)8-4-2-6-15-10(8)17-14(18)22/h2-7H,1H3,(H,15,17,22)
InChIKey ATKXUAQDHRKBFH-UHFFFAOYSA-N
Mol Weight 314.32 g/mol
Molecular Formula C14H10N4O3S
Exact Mass 314.047361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tQOIinLb3Z
Name Nicotinic acid, 2-(4-oxo-2-thioxo-1,4-dihydro-2H-pyrido[2,3-d]pyrimidin-3-yl)-, methyl ester
Alternate Name(s) 2-(4-keto-2-thioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)nicotinic acid methyl ester 2-(4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-3-yl)-3-pyridinecarboxylic acid methyl ester Methyl 2-(4-oxidanylidene-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate Methyl 2-(4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate Methyl 2-(4-oxo-2-thioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate
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Formula C14H10N4O3S
InChI InChI=1S/C14H10N4O3S/c1-21-13(20)9-5-3-7-16-11(9)18-12(19)8-4-2-6-15-10(8)17-14(18)22/h2-7H,1H3,(H,15,17,22)
InChIKey ATKXUAQDHRKBFH-UHFFFAOYSA-N
Molecular Weight 314.319 g/mol
SMILES N1c2c(C(N(C1=S)c1c(C(=O)OC)cccn1)=O)cccn2
SPLASH splash10-000m-9460000000-1bcda3d690222ffeadd3
Wiley ID 1437843