RZI
Summary
| Name: | 9-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine |
| Formula: | C12 H13 N7 S |
| Formal charge: | 0 |
| Formula weight: | 287.344 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 9-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine |
| OpenEye OEToolkits | 2.0.7 | 9-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1nc(N)nc2c1ncn2Cc1csc(n1)C1CC1 |
| InChI | InChI | 1.06 | InChI=1S/C12H13N7S/c13-9-8-10(18-12(14)17-9)19(5-15-8)3-7-4-20-11(16-7)6-1-2-6/h4-6H,1-3H2,(H4,13,14,17,18) |
| InChIKey | InChI | 1.06 | TXIARNZSMRYOQY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(N)c2ncn(Cc3csc(n3)C4CC4)c2n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(N)c2ncn(Cc3csc(n3)C4CC4)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(nc(s1)C2CC2)Cn3cnc4c3nc(nc4N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(nc(s1)C2CC2)Cn3cnc4c3nc(nc4N)N |
