MFO
Summary
| Name: | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| Formula: | C22 H23 N6 O8 P |
| Formal charge: | 0 |
| Formula weight: | 530.427 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H23N6O8P/c1-11(29)27(14-7-6-12-4-2-3-5-13(12)8-14)22-24-18-19(25-21(23)26-20(18)31)28(22)17-9-15(30)16(36-17)10-35-37(32,33)34/h2-8,15-17,30H,9-10H2,1H3,(H2,32,33,34)(H3,23,25,26,31)/t15-,16+,17+/m0/s1 |
| InChIKey | InChI | 1.03 | AEEKNUIQRYLODW-GVDBMIGSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N(c1ccc2ccccc2c1)c3nc4C(=O)N=C(N)Nc4n3[C@H]5C[C@H](O)[C@@H](CO[P](O)(O)=O)O5 |
| SMILES | CACTVS | 3.385 | CC(=O)N(c1ccc2ccccc2c1)c3nc4C(=O)N=C(N)Nc4n3[CH]5C[CH](O)[CH](CO[P](O)(O)=O)O5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(=O)N(c1ccc2ccccc2c1)c3nc4c(n3[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)NC(=NC4=O)N |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC(=O)N(c1ccc2ccccc2c1)c3nc4c(n3C5CC(C(O5)COP(=O)(O)O)O)NC(=NC4=O)N |
