WLH
Summary
| Name: | 2-(4-METHYLPIPERAZIN-1-YL)-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-4-ONE |
| Formula: | C13 H20 N4 O |
| Formal charge: | 0 |
| Formula weight: | 248.324 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)13-14-11-5-3-2-4-10(11)12(18)15-13/h2-9H2,1H3,(H,14,15,18) |
| InChIKey | InChI | 1.03 | SQCWABLHLAOJBR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2 |
