| PDB CCD ID: | POY |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C15 H22 N4 O3 |
| InChI: | InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3 |
| InChIKey: | RBQOQRRFDPXAGN-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | CCCn1cnc2c1C(=O)N(C(=O)N2C)CCCCC(=O)C | | CACTVS 3.370 | CCCn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12 | | ACDLabs 12.01 | O=C2c1n(cnc1N(C(=O)N2CCCCC(=O)C)C)CCC |
|
| Name: | 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione;
Propentofylline |
| ChEMBL: | CHEMBL1079905 |
| DrugBank: | DB06479 |
| ZINC: | ZINC000001915505 |
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