| PDB CCD ID: | L87 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H21 N5 O2 |
| InChI: | InChI=1S/C19H21N5O2/c1-4-5-10-23-14(13-9-7-6-8-12(13)2)11-24-15-16(20-18(23)24)22(3)19(26)21-17(15)25/h6-9,11H,4-5,10H2,1-3H3,(H,21,25,26) |
| InChIKey: | KCEWOOVCWCPFCY-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | CCCCn1c(cn2c1nc3N(C)C(=O)NC(=O)c23)c4ccccc4C | | OpenEye OEToolkits 1.7.6 | CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4ccccc4C | | ACDLabs 12.01 | O=C2c1n4c(nc1N(C(=O)N2)C)n(c(c3ccccc3C)c4)CCCC |
|
| Name: | 8-butyl-1-methyl-7-(2-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione |
| ChEMBL: | CHEMBL2333603 |
| ZINC: | ZINC000095587400 |
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