E48
Summary
| Name: | 6-azanyl-2-[[(1~{R},2~{S},6~{S},9~{R})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one |
| Formula: | C21 H26 N6 O6 |
| Formal charge: | 0 |
| Formula weight: | 458.468 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 6-azanyl-2-[[(1~{R},2~{S},6~{S},9~{R})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H26N6O6/c1-19(2)30-13-7-29-21(15(14(13)31-19)32-20(3,4)33-21)8-23-18-25-11-5-9-10(6-12(11)26-18)24-17(22)27-16(9)28/h5-6,13-15H,7-8H2,1-4H3,(H2,23,25,26)(H3,22,24,27,28)/t13-,14-,15+,21+/m1/s1 |
| InChIKey | InChI | 1.03 | DBANTQMQBSPBCW-MBIULKOWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)O[C@@H]2CO[C@@]3(CNc4[nH]c5cc6N=C(N)NC(=O)c6cc5n4)OC(C)(C)O[C@H]3[C@@H]2O1 |
| SMILES | CACTVS | 3.385 | CC1(C)O[CH]2CO[C]3(CNc4[nH]c5cc6N=C(N)NC(=O)c6cc5n4)OC(C)(C)O[CH]3[CH]2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNc4[nH]c5cc6c(cc5n4)C(=O)NC(=N6)N)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CNc4[nH]c5cc6c(cc5n4)C(=O)NC(=N6)N)C |
