A1BDF
Summary
| Name: | (5R,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Formula: | C9 H11 N3 |
| Formal charge: | 0 |
| Formula weight: | 161.204 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (5R,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| OpenEye OEToolkits | 3.1.0.0 | (1~{R},9~{S})-4,6,12-triazatricyclo[7.2.1.0^{2,7}]dodeca-2,4,6-triene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | c1nc2CC3CCC(N3)c2cn1 |
| InChI | InChI | 1.06 | InChI=1S/C9H11N3/c1-2-8-7-4-10-5-11-9(7)3-6(1)12-8/h4-6,8,12H,1-3H2 |
| InChIKey | InChI | 1.06 | OTYQMHKAYHPBDY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1C[C@H]2N[C@@H]1Cc3ncncc23 |
| SMILES | CACTVS | 3.385 | C1C[CH]2N[CH]1Cc3ncncc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c2c(ncn1)C[C@@H]3CC[C@H]2N3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c2c(ncn1)CC3CCC2N3 |
