OZD
Summary
| Name: | 6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione |
| Formula: | C9 H12 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 240.216 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 2.0.7 | 6-(2-hydroxyethylamino)-5-[(~{E})-2-oxidanylidenepropylideneamino]-1~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CO)NC=1NC(=O)NC(C=1\N=C\C(C)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H12N4O4/c1-5(15)4-11-6-7(10-2-3-14)12-9(17)13-8(6)16/h4,14H,2-3H2,1H3,(H3,10,12,13,16,17)/b11-4+ |
| InChIKey | InChI | 1.03 | HVWXIWYEXZLAAS-NYYWCZLTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)C=NC1=C(NCCO)NC(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CC(=O)C=NC1=C(NCCO)NC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)C=NC1=C(NC(=O)NC1=O)NCCO |
