| PDB CCD ID: | VMA |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H17 N5 O S |
| InChI: | InChI=1S/C19H17N5OS/c1-13(16-10-6-7-11-20-16)26-19-22-17-15(12-21-23(17)2)18(25)24(19)14-8-4-3-5-9-14/h3-13H,1-2H3/t13-/m1/s1 |
| InChIKey: | DFGGDGDTSVXBMC-CYBMUJFWSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | c12c(cnn1C)C(=O)N(C(=N2)SC(C)c3ccccn3)c4ccccc4 | | OpenEye OEToolkits 2.0.7 | C[C@H](c1ccccn1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4 | | OpenEye OEToolkits 2.0.7 | CC(c1ccccn1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4 | | CACTVS 3.385 | C[CH](SC1=Nc2n(C)ncc2C(=O)N1c3ccccc3)c4ccccn4 | | CACTVS 3.385 | C[C@@H](SC1=Nc2n(C)ncc2C(=O)N1c3ccccc3)c4ccccn4 |
|
| Name: | 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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