12I
Summary
| Name: | 4-(4-METHYLPIPERAZIN-1-YL)QUINAZOLINE |
| Formula: | C13 H16 N4 |
| Formal charge: | 0 |
| Formula weight: | 228.293 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-methylpiperazin-1-yl)quinazoline |
| OpenEye OEToolkits | 1.9.2 | 4-(4-methylpiperazin-1-yl)quinazoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(N1CCN(C)CC1)c3ccccc3nc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)13-11-4-2-3-5-12(11)14-10-15-13/h2-5,10H,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | RDYFSMILBPHDCN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2ncnc3ccccc23 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2ncnc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1CCN(CC1)c2c3ccccc3ncn2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN1CCN(CC1)c2c3ccccc3ncn2 |
