B7Z
Summary
| Name: | 8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
| Formula: | C19 H23 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 381.432 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H23N7O2/c1-2-16(27)25-9-7-24(8-10-25)6-4-14-11-23-26(12-14)18-17-15(3-5-20-18)19(28)22-13-21-17/h3,5,11-13H,2,4,6-10H2,1H3,(H,21,22,28) |
| InChIKey | InChI | 1.03 | NWZZGCCTCMQFDY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCN(CC1)CCc2cnn(c2)c3nccc4C(=O)NC=Nc34 |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CCN(CC1)CCc2cnn(c2)c3nccc4C(=O)NC=Nc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)N1CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)NC=N4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)N1CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)NC=N4 |
