OYD
Summary
| Name: | 6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione |
| Formula: | C12 H20 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 268.312 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 2.0.7 | 6-(5-oxidanylpentylamino)-5-[(~{E})-propylideneamino]-1~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=1(NCCCCCO)NC(NC(C=1N=[C@H]CC)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H20N4O3/c1-2-6-13-9-10(14-7-4-3-5-8-17)15-12(19)16-11(9)18/h6,17H,2-5,7-8H2,1H3,(H3,14,15,16,18,19)/b13-6+ |
| InChIKey | InChI | 1.03 | ZKFUQHLXTDAXLG-AWNIVKPZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC=NC1=C(NCCCCCO)NC(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CCC=NC1=C(NCCCCCO)NC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC/C=N/C1=C(NC(=O)NC1=O)NCCCCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC=NC1=C(NC(=O)NC1=O)NCCCCCO |
