6QX
Summary
| Name: | ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine |
| Formula: | C17 H24 N4 S |
| Formal charge: | 0 |
| Formula weight: | 316.464 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H24N4S/c1-21(2)12-8-6-11(7-9-12)20-16-15-13-4-3-5-14(13)22-17(15)19-10-18-16/h10-12H,3-9H2,1-2H3,(H,18,19,20)/t11-,12- |
| InChIKey | InChI | 1.03 | URDBLCLSFRUNRD-HAQNSBGRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[C@H]1CC[C@@H](CC1)Nc2ncnc3sc4CCCc4c23 |
| SMILES | CACTVS | 3.385 | CN(C)[CH]1CC[CH](CC1)Nc2ncnc3sc4CCCc4c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CN(C)C1CCC(CC1)Nc2c3c4c(sc3ncn2)CCC4 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CN(C)C1CCC(CC1)Nc2c3c4c(sc3ncn2)CCC4 |
