5GL
Summary
| Name: | 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one |
| Formula: | C13 H20 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 252.376 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H20N2OS/c1-4-8-15-11-7-5-6-10(11)12(14-13(15)16)17-9(2)3/h9H,4-8H2,1-3H3 |
| InChIKey | InChI | 1.03 | KUWKRQXLULNLGL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN1C(=O)N=C(SC(C)C)C2=C1CCC2 |
| SMILES | CACTVS | 3.385 | CCCN1C(=O)N=C(SC(C)C)C2=C1CCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCCN1C2=C(CCC2)C(=NC1=O)SC(C)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCCN1C2=C(CCC2)C(=NC1=O)SC(C)C |
