LTT
Summary
Name: | 4-AMINO-1-[(2S,4S)-2-(HYDROXYMETHYL)-1,3-DIOXOLAN-4-YL]PYRIMIDIN-2(1H)-ONE |
Synonyms: | (-)-L-2',3'-DIDEOXY-3'-OXACYTIDINE TROXACITABINE; TROXATYL |
Formula: | C8 H11 N3 O4 |
Formal charge: | 0 |
Formula weight: | 213.191 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2(1H)-one |
OpenEye OEToolkits | 1.5.0 | 4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1N=C(N)C=CN1C2OC(OC2)CO |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[C@@H]2CO[C@H](CO)O2 |
SMILES | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[CH]2CO[CH](CO)O2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | C1C(OC(O1)CO)N2C=CC(=NC2=O)N |
InChI | InChI | 1.03 | InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1 |
InChIKey | InChI | 1.03 | RXRGZNYSEHTMHC-BQBZGAKWSA-N |