JL9
Summary
| Name: | 2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one |
| Formula: | C18 H23 N5 O |
| Formal charge: | 0 |
| Formula weight: | 325.408 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H23N5O/c24-17-15-3-1-2-4-16(15)20-18(21-17)23-11-9-22(10-12-23)13-14-5-7-19-8-6-14/h5-8H,1-4,9-13H2,(H,20,21,24) |
| InChIKey | InChI | 1.03 | NZSKSXWSNJEOQY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=NC2=C1CCCC2)N3CCN(CC3)Cc4ccncc4 |
| SMILES | CACTVS | 3.385 | O=C1NC(=NC2=C1CCCC2)N3CCN(CC3)Cc4ccncc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cnccc1CN2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cnccc1CN2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3 |
