A1C0R
Summary
| Name: | 1-[(6-acetyl-2-oxo-2,3-dihydropteridin-4-yl)amino]-1-deoxy-D-ribitol |
| Formula: | C13 H17 N5 O6 |
| Formal charge: | 0 |
| Formula weight: | 339.304 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[(6-acetyl-2-oxo-2,3-dihydropteridin-4-yl)amino]-1-deoxy-D-ribitol |
| OpenEye OEToolkits | 3.1.0.0 | 6-ethanoyl-4-[[(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentyl]amino]-3~{H}-pteridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCC(O)C(O)C(O)CNC=1NC(=O)N=C2N=CC(=NC2=1)C(C)=O |
| InChI | InChI | 1.06 | InChI=1S/C13H17N5O6/c1-5(20)6-2-14-11-9(16-6)12(18-13(24)17-11)15-3-7(21)10(23)8(22)4-19/h2,7-8,10,19,21-23H,3-4H2,1H3,(H2,14,15,17,18,24)/t7-,8+,10-/m0/s1 |
| InChIKey | InChI | 1.06 | YKEOEQIZVGNSMT-XKSSXDPKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)C1=NC2=C(NC[C@H](O)[C@H](O)[C@H](O)CO)NC(=O)N=C2N=C1 |
| SMILES | CACTVS | 3.385 | CC(=O)C1=NC2=C(NC[CH](O)[CH](O)[CH](O)CO)NC(=O)N=C2N=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)C1=NC2=C(NC(=O)N=C2N=C1)NC[C@@H]([C@@H]([C@@H](CO)O)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)C1=NC2=C(NC(=O)N=C2N=C1)NCC(C(C(CO)O)O)O |
