Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cc(OCC)cc3 |
InChI | InChI | 1.03 | InChI=1S/C17H17N5O3/c1-2-25-11-7-6-10-4-3-5-14(12(10)8-11)22-9-13(20-17(19)24)15(21-22)16(18)23/h3-9H,2H2,1H3,(H2,18,23)(H3,19,20,24) |
InChIKey | InChI | 1.03 | JGGFBQCPFJAHOH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1 |
SMILES | CACTVS | 3.385 | CCOc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N |