3TC
Summary
| Name: | 4-AMINO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE |
| Synonyms: | (-)-L-2',3'-DIDEOXY-3'-THIACYTIDINE LAMIVUDINE; EPIVIR |
| Formula: | C8 H11 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 229.256 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one |
| OpenEye OEToolkits | 1.5.0 | 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N=C(N)C=CN1C2OC(SC2)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[C@@H]2CS[C@H](CO)O2 |
| SMILES | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[CH]2CS[CH](CO)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(OC(S1)CO)N2C=CC(=NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1 |
| InChIKey | InChI | 1.03 | JTEGQNOMFQHVDC-NKWVEPMBSA-N |
