A1DOD
Summary
| Name: | 4-(methylsulfanyl)-1,5-dihydro-2H-cyclopenta[d]pyrimidin-2-one |
| Formula: | C8 H8 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 180.227 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-(methylsulfanyl)-1,5-dihydro-2H-cyclopenta[d]pyrimidin-2-one |
| OpenEye OEToolkits | 3.1.0.0 | 4-methylsulfanyl-1,5-dihydrocyclopenta[d]pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CSC1=NC(=O)NC=2C=CCC=21 |
| InChI | InChI | 1.06 | InChI=1S/C8H8N2OS/c1-12-7-5-3-2-4-6(5)9-8(11)10-7/h2,4H,3H2,1H3,(H,9,10,11) |
| InChIKey | InChI | 1.06 | KDOKCBRZLDKPAE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSC1=NC(=O)NC2=C1CC=C2 |
| SMILES | CACTVS | 3.385 | CSC1=NC(=O)NC2=C1CC=C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CSC1=NC(=O)NC2=C1CC=C2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CSC1=NC(=O)NC2=C1CC=C2 |
