SCT
Summary
| Name: | (SOUTH)-METHANOCARBA-THYMIDINE |
| Formula: | C12 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 252.266 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hex-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.5.0 | 1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)-1-bicyclo[3.1.0]hexanyl]-5-methyl-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(=CN(C(=O)N1)C32C(C(CO)C(O)C2)C3)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=CN(C(=O)NC1=O)[C@@]23C[C@H](O)[C@@H](CO)[C@@H]2C3 |
| SMILES | CACTVS | 3.341 | CC1=CN(C(=O)NC1=O)[C]23C[CH](O)[CH](CO)[CH]2C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)[C@]23C[C@H]2[C@@H]([C@H](C3)O)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)C23CC2C(C(C3)O)CO |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)12-2-8(12)7(5-15)9(16)3-12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8-,9-,12-/m0/s1 |
| InChIKey | InChI | 1.03 | XRMLXZVSFIBRRJ-PEFMBERDSA-N |
