YM6
Summary
| Name: | 1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine |
| Formula: | C14 H16 N6 O |
| Formal charge: | 0 |
| Formula weight: | 284.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-4-(4,6,8,11-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-3-yl)morpholin-2-yl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H16N6O/c15-5-9-7-20(3-4-21-9)14-12-10-1-2-16-6-11(10)19-13(12)17-8-18-14/h1-2,6,8-9H,3-5,7,15H2,(H,17,18,19)/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | ZOMFTMSIQWYIQV-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@@H]1CN(CCO1)c2ncnc3[nH]c4cnccc4c23 |
| SMILES | CACTVS | 3.385 | NC[CH]1CN(CCO1)c2ncnc3[nH]c4cnccc4c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cncc2c1c3c([nH]2)ncnc3N4CCO[C@@H](C4)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cncc2c1c3c([nH]2)ncnc3N4CCOC(C4)CN |
