EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:115020 - 3-amino-2-cyano-5-(3-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester
| Formula | C17H16N4O3S |
| Net Charge | 0 |
| Average Mass | 356.407 |
| Monoisotopic Mass | 356.09431 |
| SMILES | COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2C1c1cccc(OC)c1 |
| InChI | InChI=1S/C17H16N4O3S/c1-9-13(16(22)24-3)14(10-5-4-6-11(7-10)23-2)21-15(19)12(8-18)25-17(21)20-9/h4-7,14H,19H2,1-3H3 |
| InChIKey | ZQVHNYQRPHHVCI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-amino-2-cyano-5-(3-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester (CHEBI:115020) is a methoxybenzenes (CHEBI:51683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26482 | LINCS |