7-Amino-4-oxo-2-thioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile

SpectraBase Compound ID	6yVumJ6PyNr
InChI	InChI=1S/C17H16N4O5S/c1-23-9-4-7(5-10(24-2)13(9)25-3)11-8(6-18)14(19)26-16-12(11)15(22)20-17(27)21-16/h4-5,11H,19H2,1-3H3,(H2,20,21,22,27)
InChIKey	CLMMUBHUKIUGLW-UHFFFAOYSA-N Google Search
Mol Weight	388.4 g/mol
Molecular Formula	C17H16N4O5S
Exact Mass	388.084141 g/mol

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SpectraBase Spectrum ID	KH0EijAE7Ut
Name	7-Amino-4-oxo-2-thioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H16N4O5S
InChI	InChI=1S/C17H16N4O5S/c1-23-9-4-7(5-10(24-2)13(9)25-3)11-8(6-18)14(19)26-16-12(11)15(22)20-17(27)21-16/h4-5,11H,19H2,1-3H3,(H2,20,21,22,27)
InChIKey	CLMMUBHUKIUGLW-UHFFFAOYSA-N
Molecular Weight	388.398 g/mol
SMILES	N1C(C=2C(C(=C(OC2NC1=S)N)C#N)c1cc(OC)c(c(c1)OC)OC)=O
SPLASH	splash10-0006-0090000000-9f6a5b314be50a79ef20
Source of Spectrum	F2-47-21-6
Synonyms	7-amino-4-oxo-2-sulfanylidene-5-(3,4,5-trimethoxyphenyl)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile 7-amino-4-oxo-2-thioxo-5-(3,4,5-trimethoxyphenyl)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile 7-azanyl-4-oxidanylidene-2-sulfanylidene-5-(3,4,5-trimethoxyphenyl)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
Wiley ID	1706220