DRL
Summary
| Name: | 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one |
| Formula: | C8 H10 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 182.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one |
| OpenEye OEToolkits | 1.5.0 | 2-methyl-3,5,7,8-tetrahydrothiopyrano[3,4-e]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C2=C(N=C(N1)C)CCSC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=NC2=C(CSCC2)C(=O)N1 |
| SMILES | CACTVS | 3.341 | CC1=NC2=C(CSCC2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=NC2=C(CSCC2)C(=O)N1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=NC2=C(CSCC2)C(=O)N1 |
| InChI | InChI | 1.03 | InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11) |
| InChIKey | InChI | 1.03 | HRYKZAKEAVZGJD-UHFFFAOYSA-N |
