6TW
Summary
| Name: | [(2~{R},3~{S},5~{R})-5-[2-[(3-acetamidonaphthalen-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite |
| Formula: | C22 H23 N6 O7 P |
| Formal charge: | 0 |
| Formula weight: | 514.428 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | [(2~{R},3~{S},5~{R})-5-[2-[(3-acetamidonaphthalen-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H23N6O7P/c1-11(29)24-14-6-12-4-2-3-5-13(12)7-15(14)25-22-26-20-19(21(31)27-22)23-10-28(20)18-8-16(30)17(35-18)9-34-36(32)33/h2-7,10,16-18,30,32-33H,8-9H2,1H3,(H,24,29)(H2,25,26,27,31)/t16-,17+,18+/m0/s1 |
| InChIKey | InChI | 1.03 | PHWBALFMSFTYFU-RCCFBDPRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cc2ccccc2cc1NC3=Nc4n(cnc4C(=O)N3)[C@H]5C[C@H](O)[C@@H](COP(O)O)O5 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1cc2ccccc2cc1NC3=Nc4n(cnc4C(=O)N3)[CH]5C[CH](O)[CH](COP(O)O)O5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(=O)Nc1cc2ccccc2cc1NC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(O)O)O)C(=O)N3 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC(=O)Nc1cc2ccccc2cc1NC3=Nc4c(ncn4C5CC(C(O5)COP(O)O)O)C(=O)N3 |
