NIQ
Summary
| Name: | 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1H,3H)-dione |
| Formula: | C13 H22 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 266.339 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.9.2 | 6-azanyl-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(=C(N)N(C(=O)N1)CCCC)NC2CCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C13H22N4O2/c1-2-3-8-17-11(14)10(12(18)16-13(17)19)15-9-6-4-5-7-9/h9,15H,2-8,14H2,1H3,(H,16,18,19) |
| InChIKey | InChI | 1.03 | QSWLLYQXNWLJDT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCN1C(=O)NC(=O)C(=C1N)NC2CCCC2 |
| SMILES | CACTVS | 3.385 | CCCCN1C(=O)NC(=O)C(=C1N)NC2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCN1C(=C(C(=O)NC1=O)NC2CCCC2)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCN1C(=C(C(=O)NC1=O)NC2CCCC2)N |
