1UD
Summary
| Name: | methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-3-O-methyl-beta-D-ribo-hexofuranoside |
| Formula: | C18 H24 N6 O5 |
| Formal charge: | 0 |
| Formula weight: | 404.42 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-3-O-methyl-beta-D-ribo-hexofuranoside |
| OpenEye OEToolkits | 1.7.6 | 6-azanyl-4-[2-[(2R,3S,4R,5R)-3,5-dimethoxy-4-oxidanyl-oxolan-2-yl]ethyl]-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=Nc3c1cc2nc(nc2c3CCC4OC(OC)C(O)C4OC)NC)N |
| InChI | InChI | 1.03 | InChI=1S/C18H24N6O5/c1-20-18-21-9-6-8-11(22-17(19)24-15(8)26)7(12(9)23-18)4-5-10-14(27-2)13(25)16(28-3)29-10/h6,10,13-14,16,25H,4-5H2,1-3H3,(H2,20,21,23)(H3,19,22,24,26)/t10-,13-,14-,16-/m1/s1 |
| InChIKey | InChI | 1.03 | AYNKUXIALNGELF-DSPGLSBSSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CNc1[nH]c2cc3C(=O)NC(=Nc3c(CC[C@H]4O[C@@H](OC)[C@H](O)[C@@H]4OC)c2n1)N |
| SMILES | CACTVS | 3.370 | CNc1[nH]c2cc3C(=O)NC(=Nc3c(CC[CH]4O[CH](OC)[CH](O)[CH]4OC)c2n1)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)OC)N=C(NC3=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNc1[nH]c2cc3c(c(c2n1)CCC4C(C(C(O4)OC)O)OC)N=C(NC3=O)N |
