725
Summary
| Name: | 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one |
| Formula: | C19 H26 N6 O5 |
| Formal charge: | 0 |
| Formula weight: | 418.447 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{R},5~{R})-3,4,5-trimethoxyoxolan-2-yl]ethyl]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H26N6O5/c1-21-19-22-10-7-9-12(23-18(20)25-16(9)26)8(13(10)24-19)5-6-11-14(27-2)15(28-3)17(29-4)30-11/h7,11,14-15,17H,5-6H2,1-4H3,(H2,21,22,24)(H3,20,23,25,26)/t11-,14-,15-,17-/m1/s1 |
| InChIKey | InChI | 1.03 | OMBPYCFBGGXDQG-BNGXUDDSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1[nH]c2c(CC[C@H]3O[C@@H](OC)[C@H](OC)[C@@H]3OC)c4N=C(N)NC(=O)c4cc2n1 |
| SMILES | CACTVS | 3.385 | CNc1[nH]c2c(CC[CH]3O[CH](OC)[CH](OC)[CH]3OC)c4N=C(N)NC(=O)c4cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CNc1[nH]c2c(n1)cc3c(c2CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)OC)OC)N=C(NC3=O)N |
| SMILES | OpenEye OEToolkits | 2.0.5 | CNc1[nH]c2c(n1)cc3c(c2CCC4C(C(C(O4)OC)OC)OC)N=C(NC3=O)N |
