| 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 |
| Alternate Name(s) |
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 |
| 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 |
| Wiley ID |
1706220 |
![7-Amino-4-oxo-2-thioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile](/api/spectrum/KH0EijAE7Ut/structure.png?h=300&w=458 "7-Amino-4-oxo-2-thioxo-5-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile")
