ZYV
Summary
| Name: | 1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE |
| Synonyms: | (4-(9H-PURIN-6-YL)MORPHOLIN-2-YL)METHANAMINE |
| Formula: | C10 H14 N6 O |
| Formal charge: | 0 |
| Formula weight: | 234.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[(2S)-4-(7H-purin-6-yl)morpholin-2-yl]methanamine |
| OpenEye OEToolkits | 1.6.1 | [(2S)-4-(7H-purin-6-yl)morpholin-2-yl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1cnc3ncnc3c1N2CC(OCC2)CN |
| SMILES_CANONICAL | CACTVS | 3.352 | NC[C@H]1CN(CCO1)c2ncnc3nc[nH]c23 |
| SMILES | CACTVS | 3.352 | NC[CH]1CN(CCO1)c2ncnc3nc[nH]c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1[nH]c2c(n1)ncnc2N3CCO[C@H](C3)CN |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1[nH]c2c(n1)ncnc2N3CCOC(C3)CN |
| InChI | InChI | 1.03 | InChI=1S/C10H14N6O/c11-3-7-4-16(1-2-17-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4,11H2,(H,12,13,14,15)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | VNGSDLIBIYNHKQ-ZETCQYMHSA-N |
