RMG
Summary
| Name: | 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine |
| Formula: | C19 H28 N4 S2 |
| Formal charge: | 0 |
| Formula weight: | 376.582 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.7 | 5-(3-piperidin-1-ylpropylsulfanyl)-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7),3,5-tetraen-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1CCCCN1CCCSc2nc(N)c3c(n2)sc4c3CCCCC4 |
| InChI | InChI | 1.03 | InChI=1S/C19H28N4S2/c20-17-16-14-8-3-1-4-9-15(14)25-18(16)22-19(21-17)24-13-7-12-23-10-5-2-6-11-23/h1-13H2,(H2,20,21,22) |
| InChIKey | InChI | 1.03 | VTSCBVXWAWVRQU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(SCCCN2CCCCC2)nc3sc4CCCCCc4c13 |
| SMILES | CACTVS | 3.385 | Nc1nc(SCCCN2CCCCC2)nc3sc4CCCCCc4c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CCc2c(sc3c2c(nc(n3)SCCCN4CCCCC4)N)CC1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CCc2c(sc3c2c(nc(n3)SCCCN4CCCCC4)N)CC1 |
