6XD
Summary
| Name: | 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea |
| Formula: | C17 H26 N4 O |
| Formal charge: | 0 |
| Formula weight: | 302.415 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H26N4O/c22-16(19-2-1-4-21-5-3-18-12-21)20-17-9-13-6-14(10-17)8-15(7-13)11-17/h3,5,12-15H,1-2,4,6-11H2,(H2,19,20,22)/t13-,14+,15-,17- |
| InChIKey | InChI | 1.03 | JODLYBRKXRTSIK-LTBQPASTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCCn1ccnc1)NC23CC4CC(CC(C4)C2)C3 |
| SMILES | CACTVS | 3.385 | O=C(NCCCn1ccnc1)NC23CC4CC(CC(C4)C2)C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cn(cn1)CCCNC(=O)NC23CC4CC(C2)CC(C4)C3 |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cn(cn1)CCCNC(=O)NC23CC4CC(C2)CC(C4)C3 |
