O3H
Summary
| Name: | 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one |
| Formula: | C19 H21 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 367.468 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H21N5OS/c25-18-15-5-1-2-6-16(15)21-19(22-18)26-14-13-23-9-11-24(12-10-23)17-7-3-4-8-20-17/h1-8H,9-14H2,(H,21,22,25) |
| InChIKey | InChI | 1.03 | AFXJUCILCGBUNX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=Nc2ccccc12)SCCN3CCN(CC3)c4ccccn4 |
| SMILES | CACTVS | 3.385 | O=C1NC(=Nc2ccccc12)SCCN3CCN(CC3)c4ccccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)NC(=N2)SCCN3CCN(CC3)c4ccccn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)NC(=N2)SCCN3CCN(CC3)c4ccccn4 |
