PVW
Summary
| Name: | 3-(2-METHOXYETHYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE |
| Formula: | C8 H10 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 226.256 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(2-methoxyethyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one |
| OpenEye OEToolkits | 1.7.2 | 3-(2-methoxyethyl)-2-sulfanylidene-7H-purin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1c(ncn1)N(C(=S)N2)CCOC |
| InChI | InChI | 1.03 | InChI=1S/C8H10N4O2S/c1-14-3-2-12-6-5(9-4-10-6)7(13)11-8(12)15/h4H,2-3H2,1H3,(H,9,10)(H,11,13,15) |
| InChIKey | InChI | 1.03 | VXTADZREIUKIHH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COCCN1C(=S)NC(=O)c2[nH]cnc12 |
| SMILES | CACTVS | 3.370 | COCCN1C(=S)NC(=O)c2[nH]cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | COCCN1c2c([nH]cn2)C(=O)NC1=S |
| SMILES | OpenEye OEToolkits | 1.7.2 | COCCN1c2c([nH]cn2)C(=O)NC1=S |
