U0S
Summary
| Name: | (5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane |
| Formula: | C11 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 205.256 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane |
| OpenEye OEToolkits | 2.0.7 | (5~{S})-7-pyrazin-2-yl-2-oxa-7-azaspiro[4.4]nonane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C3CC2(CN(c1nccnc1)CC2)CO3 |
| InChI | InChI | 1.03 | InChI=1S/C11H15N3O/c1-5-14(10-7-12-3-4-13-10)8-11(1)2-6-15-9-11/h3-4,7H,1-2,5-6,8-9H2/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | ITTBXBSSJHVWJS-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1C[C@]2(CCN(C2)c3cnccn3)CO1 |
| SMILES | CACTVS | 3.385 | C1C[C]2(CCN(C2)c3cnccn3)CO1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc(cn1)N2CC[C@@]3(C2)CCOC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc(cn1)N2CCC3(C2)CCOC3 |
