WA2
Summary
| Name: | (2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol |
| Formula: | C10 H15 N5 O |
| Formal charge: | 0 |
| Formula weight: | 221.259 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol |
| OpenEye OEToolkits | 1.7.2 | (2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c2c(nc1)ncn2)NCCC(C)CO |
| InChI | InChI | 1.03 | InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | XXFACTAYGKKOQB-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](CO)CCNc1ncnc2nc[nH]c12 |
| SMILES | CACTVS | 3.370 | C[CH](CO)CCNc1ncnc2nc[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C[C@H](CCNc1c2c(nc[nH]2)ncn1)CO |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(CCNc1c2c(nc[nH]2)ncn1)CO |
