4AB
Summary
| Name: | 2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE |
| Synonyms: | 4-AMINO 5,6,7,8-TETRAHYDROBIOPTERIN |
| Formula: | C9 H16 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 240.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R,2S)-1-[(6R)-2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl]propane-1,2-diol |
| OpenEye OEToolkits | 1.5.0 | (1R,2S)-1-[(6R)-2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl]propane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c(nc1c(NC(CN1)C(O)C(O)C)c2N)N |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)nc(N)c2N1 |
| SMILES | CACTVS | 3.341 | C[CH](O)[CH](O)[CH]1CNc2nc(N)nc(N)c2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]([C@@H]([C@H]1CNc2c(c(nc(n2)N)N)N1)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(C1CNc2c(c(nc(n2)N)N)N1)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H16N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h3-4,6,13,16-17H,2H2,1H3,(H5,10,11,12,14,15)/t3-,4+,6-/m0/s1 |
| InChIKey | InChI | 1.03 | NDSDGUULXHNXGA-RPDRRWSUSA-N |
