JSP
Summary
Name: | (1R)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol |
Formula: | C10 H16 N3 O7 P |
Formal charge: | 0 |
Formula weight: | 321.224 Da |
Component type: | DNA linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (1R)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol |
OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{S},5~{R})-5-(4-azanyl-1-methyl-2-oxidanylidene-pyrimidin-5-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(=CN(C(=O)N=C1N)C)C2CC(C(COP(=O)(O)O)O2)O |
InChI | InChI | 1.03 | InChI=1S/C10H16N3O7P/c1-13-3-5(9(11)12-10(13)15)7-2-6(14)8(20-7)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 |
InChIKey | InChI | 1.03 | NSXSEZCKIMJZGT-XLPZGREQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=NC1=O)N |
SMILES | CACTVS | 3.385 | CN1C=C([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=NC1=O)N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C=C(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CN1C=C(C(=NC1=O)N)C2CC(C(O2)COP(=O)(O)O)O |