Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3c2ccc(C#CC1(O)CCCCC1)cc2n(c3C)c4ncnc(n4)N |
InChI | InChI | 1.03 | InChI=1S/C19H20N6O/c1-13-23-15-6-5-14(7-10-19(26)8-3-2-4-9-19)11-16(15)25(13)18-22-12-21-17(20)24-18/h5-6,11-12,26H,2-4,8-9H2,1H3,(H2,20,21,22,24) |
InChIKey | InChI | 1.03 | RSIUBEYNBJJYTG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2ccc(cc2n1c3ncnc(N)n3)C#CC4(O)CCCCC4 |
SMILES | CACTVS | 3.385 | Cc1nc2ccc(cc2n1c3ncnc(N)n3)C#CC4(O)CCCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC4(CCCCC4)O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC4(CCCCC4)O |