Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cc(OCCC)cc3 |
InChI | InChI | 1.03 | InChI=1S/C18H19N5O3/c1-2-8-26-12-7-6-11-4-3-5-15(13(11)9-12)23-10-14(21-18(20)25)16(22-23)17(19)24/h3-7,9-10H,2,8H2,1H3,(H2,19,24)(H3,20,21,25) |
InChIKey | InChI | 1.03 | HDLCJAZFKRTKGX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCOc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1 |
SMILES | CACTVS | 3.370 | CCCOc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N |