QZW
Summary
| Name: | 4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine |
| Formula: | C17 H15 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 337.399 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H15N5OS/c1-10-21-16-15(17(22-10)23-8-11-3-5-24-9-11)13(7-20-16)12-2-4-19-14(18)6-12/h2-7,9H,8H2,1H3,(H2,18,19)(H,20,21,22) |
| InChIKey | InChI | 1.03 | BWRQNVDGLTUELI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2[nH]cc(c3ccnc(N)c3)c2c(OCc4cscc4)n1 |
| SMILES | CACTVS | 3.385 | Cc1nc2[nH]cc(c3ccnc(N)c3)c2c(OCc4cscc4)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)OCc4ccsc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)OCc4ccsc4 |
