LCW
Summary
| Name: | 2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide |
| Formula: | C15 H14 N6 O |
| Formal charge: | 0 |
| Formula weight: | 294.311 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H14N6O/c1-2-11-13-14(18-8-17-13)21-15(20-11)19-10-5-3-9(4-6-10)7-12(16)22/h2-6,8H,1,7H2,(H2,16,22)(H2,17,18,19,20,21) |
| InChIKey | InChI | 1.03 | LSWHKQJKPIFFMY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)Cc1ccc(Nc2nc3[nH]cnc3c(C=C)n2)cc1 |
| SMILES | CACTVS | 3.385 | NC(=O)Cc1ccc(Nc2nc3[nH]cnc3c(C=C)n2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=Cc1c2c([nH]cn2)nc(n1)Nc3ccc(cc3)CC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=Cc1c2c([nH]cn2)nc(n1)Nc3ccc(cc3)CC(=O)N |
