PDB CCD ID: | 1UA |
Number of entries in BioLiP: | 3 |
Chemical formula: | C15 H16 N2 O S |
InChI: | InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18) |
InChIKey: | SEZPRMPVJMVCBV-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | Cc1ccc(CSC2=NC3=C(CCC3)C(=O)N2)cc1 | ACDLabs 12.01 | O=C2C3=C(N=C(SCc1ccc(cc1)C)N2)CCC3 | OpenEye OEToolkits 1.7.6 | Cc1ccc(cc1)CSC2=NC3=C(CCC3)C(=O)N2 |
|
Name: | 2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one |
ChEMBL: | CHEMBL1371684 |
ZINC: | ZINC000006531058 |