| PDB CCD ID: | VM4 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H18 N4 O2 S |
| InChI: | InChI=1S/C20H18N4O2S/c1-13(14-7-6-10-16(25)11-14)27-20-22-18-17(12-21-23(18)2)19(26)24(20)15-8-4-3-5-9-15/h3-13,25H,1-2H3/t13-/m1/s1 |
| InChIKey: | RTSMRTUJWIBZAN-CYBMUJFWSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@H](c1cccc(c1)O)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4 | | CACTVS 3.385 | C[CH](SC1=Nc2n(C)ncc2C(=O)N1c3ccccc3)c4cccc(O)c4 | | ACDLabs 12.01 | O=C2N(c1ccccc1)C(=Nc3c2cnn3C)SC(C)c4cc(ccc4)O | | OpenEye OEToolkits 2.0.7 | CC(c1cccc(c1)O)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4 | | CACTVS 3.385 | C[C@@H](SC1=Nc2n(C)ncc2C(=O)N1c3ccccc3)c4cccc(O)c4 |
|
| Name: | 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
zhanggroup.org