0TT
Summary
| Name: | 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione |
| Formula: | C20 H28 N4 O10 |
| Formal charge: | 0 |
| Formula weight: | 484.457 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-({(5R)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-2,4-dioxohexahydropyrimidin-5-yl}methyl)pyrimidine-2,4(1H,3H)-dione (non-preferred name) |
| OpenEye OEToolkits | 1.7.6 | 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N(C=C(C(=O)N1)CC2(C(=O)NC(=O)N(C2)C3OC(C(O)C3)CO)C)C4OC(CO)C(O)C4 |
| InChI | InChI | 1.03 | InChI=1S/C20H28N4O10/c1-20(8-24(19(32)22-17(20)30)15-3-11(28)13(7-26)34-15)4-9-5-23(18(31)21-16(9)29)14-2-10(27)12(6-25)33-14/h5,10-15,25-28H,2-4,6-8H2,1H3,(H,21,29,31)(H,22,30,32)/t10-,11-,12+,13+,14+,15+,20+/m0/s1 |
| InChIKey | InChI | 1.03 | WCJUEZCRTGBSQU-BZMYHREGSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@]1(CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O)CC3=CN([C@H]4C[C@H](O)[C@@H](CO)O4)C(=O)NC3=O |
| SMILES | CACTVS | 3.370 | C[C]1(CN([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O)CC3=CN([CH]4C[CH](O)[CH](CO)O4)C(=O)NC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)CC3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)CO)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1(CN(C(=O)NC1=O)C2CC(C(O2)CO)O)CC3=CN(C(=O)NC3=O)C4CC(C(O4)CO)O |
