F7H
Summary
Name: | 4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one |
Formula: | C13 H17 N3 O4 |
Formal charge: | 0 |
Formula weight: | 279.292 Da |
Component type: | DNA linking |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C13H17N3O4/c1-6-5-16(11(17)15-9(6)14)8-4-12(18)2-7-3-13(7,19)10(12)20-8/h5,7-8,10,18-19H,2-4H2,1H3,(H2,14,15,17)/t7-,8-,10+,12+,13-/m1/s1 |
InChIKey | InChI | 1.03 | GKRDGXCEGWQOOW-ZIDZYHNGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=CN([C@H]2C[C@@]3(O)C[C@@H]4C[C@]4(O)[C@H]3O2)C(=O)N=C1N |
SMILES | CACTVS | 3.385 | CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O)[CH]3O2)C(=O)N=C1N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CN(C(=O)N=C1N)C2CC3(CC4CC4(C3O2)O)O |