CMU
Summary
| Name: | 5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL |
| Synonyms: | 5-CHLORO-6-[(2-IMINOPYRROLIDIN-1-YL)METHYL]PYRIMIDINE-2,4(1H,3H)-DIONE |
| Formula: | C9 H11 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 242.662 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-chloro-6-{[(2Z)-2-iminopyrrolidin-1-yl]methyl}pyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.5.0 | 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | ClC1=C(NC(=O)NC1=O)CN2C(=[N@H])CCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | ClC1=C(CN2CCCC2=N)NC(=O)NC1=O |
| SMILES | CACTVS | 3.341 | ClC1=C(CN2CCCC2=N)NC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C\1/CCCN1CC2=C(C(=O)NC(=O)N2)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C1CCCN1CC2=C(C(=O)NC(=O)N2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)/b11-6- |
| InChIKey | InChI | 1.03 | QQHMKNYGKVVGCZ-WDZFZDKYSA-N |
