W8G
Summary
| Name: | 4-thiomorpholino-7H-pyrrolo[2,3-d]pyrimidin-2-amine |
| Formula: | C10 H13 N5 S |
| Formal charge: | 0 |
| Formula weight: | 235.309 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(thiomorpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine |
| OpenEye OEToolkits | 1.7.6 | 4-thiomorpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(nc3c(c1N2CCSCC2)ccn3)N |
| InChI | InChI | 1.03 | InChI=1S/C10H13N5S/c11-10-13-8-7(1-2-12-8)9(14-10)15-3-5-16-6-4-15/h1-2H,3-6H2,(H3,11,12,13,14) |
| InChIKey | InChI | 1.03 | GXASLOKGYHGRQW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc2[nH]ccc2c(n1)N3CCSCC3 |
| SMILES | CACTVS | 3.385 | Nc1nc2[nH]ccc2c(n1)N3CCSCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c[nH]c2c1c(nc(n2)N)N3CCSCC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c[nH]c2c1c(nc(n2)N)N3CCSCC3 |
