NWL
Summary
| Name: | 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1H,3H)-dione |
| Formula: | C13 H16 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 260.292 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.7.6 | 6-azanyl-5-(ethylamino)-1-(phenylmethyl)pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H16N4O2/c1-2-15-10-11(14)17(13(19)16-12(10)18)8-9-6-4-3-5-7-9/h3-7,15H,2,8,14H2,1H3,(H,16,18,19) |
| InChIKey | InChI | 1.03 | DHIDSSFRXLUFLN-UHFFFAOYSA-N |
| SMILES | ACDLabs | 12.01 | O=C1C(=C(N)N(C(=O)N1)Cc2ccccc2)NCC |
| SMILES_CANONICAL | CACTVS | 3.370 | CCNC1=C(N)N(Cc2ccccc2)C(=O)NC1=O |
| SMILES | CACTVS | 3.370 | CCNC1=C(N)N(Cc2ccccc2)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCNC1=C(N(C(=O)NC1=O)Cc2ccccc2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCNC1=C(N(C(=O)NC1=O)Cc2ccccc2)N |
