Q7P
Summary
| Name: | 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione |
| Formula: | C11 H16 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 268.269 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 2.0.7 | 6-(4-oxidanylbutylamino)-5-[(~{E})-2-oxidanylidenepropylideneamino]-1~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(NC(=O)C(/N=C/C(C)=O)=C(NCCCCO)N1)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H16N4O4/c1-7(17)6-13-8-9(12-4-2-3-5-16)14-11(19)15-10(8)18/h6,16H,2-5H2,1H3,(H3,12,14,15,18,19)/b13-6+ |
| InChIKey | InChI | 1.03 | OCPAQIZKGXRILZ-AWNIVKPZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)C=NC1=C(NCCCCO)NC(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CC(=O)C=NC1=C(NCCCCO)NC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)C=NC1=C(NC(=O)NC1=O)NCCCCO |
