JUO
Summary
| Name: | 2-amino-4-thiomorpholino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| Formula: | C11 H12 N6 S |
| Formal charge: | 0 |
| Formula weight: | 260.318 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-4-(thiomorpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-4-thiomorpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc2c1c(nc(nc1nc2)N)N3CCSCC3 |
| InChI | InChI | 1.03 | InChI=1S/C11H12N6S/c12-5-7-6-14-9-8(7)10(16-11(13)15-9)17-1-3-18-4-2-17/h6H,1-4H2,(H3,13,14,15,16) |
| InChIKey | InChI | 1.03 | GKYUKOOTBHIFIT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc2[nH]cc(C#N)c2c(n1)N3CCSCC3 |
| SMILES | CACTVS | 3.385 | Nc1nc2[nH]cc(C#N)c2c(n1)N3CCSCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(c2c([nH]1)nc(nc2N3CCSCC3)N)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(c2c([nH]1)nc(nc2N3CCSCC3)N)C#N |
