A1BJL
Summary
| Name: | [(5S)-7-(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-5-yl]methanol |
| Formula: | C15 H21 N5 O |
| Formal charge: | 0 |
| Formula weight: | 287.36 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | [(5S)-7-(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-5-yl]methanol |
| OpenEye OEToolkits | 3.1.0.0 | [(9~{S})-7-(2-azanyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-9-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Nc1nc2[NH]ccc2c(n1)N1CCC2(CCC2)C(C1)CO |
| InChI | InChI | 1.06 | InChI=1S/C15H21N5O/c16-14-18-12-11(2-6-17-12)13(19-14)20-7-5-15(3-1-4-15)10(8-20)9-21/h2,6,10,21H,1,3-5,7-9H2,(H3,16,17,18,19)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | SQOLCBZCYMVTKG-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc2[nH]ccc2c(n1)N3CCC4(CCC4)[C@H](CO)C3 |
| SMILES | CACTVS | 3.385 | Nc1nc2[nH]ccc2c(n1)N3CCC4(CCC4)[CH](CO)C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(nc(n2)N)N3CCC4(CCC4)[C@@H](C3)CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(nc(n2)N)N3CCC4(CCC4)C(C3)CO |
