| PDB CCD ID: | W4Y |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H15 N3 O2 S |
| InChI: | InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17) |
| InChIKey: | FVJCUZCRPIMVLB-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C1(=O)NC(N(CCOC(C)C)c2ccnc12)=S | | OpenEye OEToolkits 2.0.7 | CC(C)OCCN1c2cc[nH]c2C(=O)NC1=S | | CACTVS 3.385 | CC(C)OCCN1C(=S)NC(=O)c2[nH]ccc12 |
|
| Name: | 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| ChEMBL: | CHEMBL4297594 |
| DrugBank: | DB12440 |
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