VKB
Summary
| Name: | 4-[5-azanyl-6-(phenylmethyl)pyrazin-2-yl]phenol |
| Formula: | C17 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 277.321 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[5-azanyl-6-(phenylmethyl)pyrazin-2-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H15N3O/c18-17-15(10-12-4-2-1-3-5-12)20-16(11-19-17)13-6-8-14(21)9-7-13/h1-9,11,21H,10H2,(H2,18,19) |
| InChIKey | InChI | 1.03 | BWNPYAKFDUFNND-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncc(nc1Cc2ccccc2)c3ccc(O)cc3 |
| SMILES | CACTVS | 3.385 | Nc1ncc(nc1Cc2ccccc2)c3ccc(O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)N |
