11G
Summary
| Name: | (7R)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one |
| Formula: | C14 H20 N4 O |
| Formal charge: | 0 |
| Formula weight: | 260.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (7R)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one |
| OpenEye OEToolkits | 1.7.6 | (7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N(c3cncnc3N(C1CC)C2CCCC2)C |
| InChI | InChI | 1.03 | InChI=1S/C14H20N4O/c1-3-11-14(19)17(2)12-8-15-9-16-13(12)18(11)10-6-4-5-7-10/h8-11H,3-7H2,1-2H3/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | WQXIWGBBMQMEGH-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[C@H]1N(C2CCCC2)c3ncncc3N(C)C1=O |
| SMILES | CACTVS | 3.370 | CC[CH]1N(C2CCCC2)c3ncncc3N(C)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[C@@H]1C(=O)N(c2cncnc2N1C3CCCC3)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC1C(=O)N(c2cncnc2N1C3CCCC3)C |
