A1KEX
Summary
| Name: | (7~{R})-2-azanyl-8-cyclopentyl-5,7-dimethyl-7~{H}-pteridin-6-one |
| Formula: | C13 H19 N5 O |
| Formal charge: | 0 |
| Formula weight: | 261.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (7~{R})-2-azanyl-8-cyclopentyl-5,7-dimethyl-7~{H}-pteridin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H19N5O/c1-8-12(19)17(2)10-7-15-13(14)16-11(10)18(8)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H2,14,15,16)/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | YXRLQDNFFZELDG-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1N(C2CCCC2)c3nc(N)ncc3N(C)C1=O |
| SMILES | CACTVS | 3.385 | C[CH]1N(C2CCCC2)c3nc(N)ncc3N(C)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(=O)N(c2cnc(nc2N1C3CCCC3)N)C |
