A1BI5
Summary
| Name: | (7P,8S)-7-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl][1,2,4]triazolo[1,5-a]pyrimidine |
| Formula: | C14 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 252.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (7P,8S)-7-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl][1,2,4]triazolo[1,5-a]pyrimidine |
| OpenEye OEToolkits | 3.1.0.0 | 7-[(2~{S})-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC1Cc2cc(ccc2O1)c1ccnc2ncnn21 |
| InChI | InChI | 1.06 | InChI=1S/C14H12N4O/c1-9-6-11-7-10(2-3-13(11)19-9)12-4-5-15-14-16-8-17-18(12)14/h2-5,7-9H,6H2,1H3/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | BPKWKBIVZRWWQO-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1Cc2cc(ccc2O1)c3ccnc4ncnn34 |
| SMILES | CACTVS | 3.385 | C[CH]1Cc2cc(ccc2O1)c3ccnc4ncnn34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]1Cc2cc(ccc2O1)c3ccnc4n3ncn4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1Cc2cc(ccc2O1)c3ccnc4n3ncn4 |
