3CJ
Summary
| Name: | 6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one |
| Formula: | C7 H10 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 170.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C1NC(=CC(=O)N1)CCC |
| InChI | InChI | 1.03 | InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11) |
| InChIKey | InChI | 1.03 | KNAHARQHSZJURB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC1=CC(=O)NC(=S)N1 |
| SMILES | CACTVS | 3.385 | CCCC1=CC(=O)NC(=S)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCC1=CC(=O)NC(=S)N1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCC1=CC(=O)NC(=S)N1 |
