Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(N)c1c(n(CCOC)cc1C#Cc2c(ccc(c2)NC(C)=O)C)ncn3 |
InChI | InChI | 1.03 | InChI=1S/C20H21N5O2/c1-13-4-7-17(24-14(2)26)10-15(13)5-6-16-11-25(8-9-27-3)20-18(16)19(21)22-12-23-20/h4,7,10-12H,8-9H2,1-3H3,(H,24,26)(H2,21,22,23) |
InChIKey | InChI | 1.03 | JQKPZHMYPLLZEN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCCn1cc(C#Cc2cc(NC(C)=O)ccc2C)c3c(N)ncnc13 |
SMILES | CACTVS | 3.385 | COCCn1cc(C#Cc2cc(NC(C)=O)ccc2C)c3c(N)ncnc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C#Cc2cn(c3c2c(ncn3)N)CCOC)NC(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C#Cc2cn(c3c2c(ncn3)N)CCOC)NC(=O)C |