Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=Cc3cc(c2c(cc1c(nc(nc1N)N)c2)C)c(OCC)cc3 |
InChI | InChI | 1.03 | InChI=1S/C18H18N4O2/c1-3-24-16-5-4-11(9-23)7-13(16)12-8-15-14(6-10(12)2)17(19)22-18(20)21-15/h4-9H,3H2,1-2H3,(H4,19,20,21,22) |
InChIKey | InChI | 1.03 | BDVALXKNVWZHIQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCOc1ccc(C=O)cc1c2cc3nc(N)nc(N)c3cc2C |
SMILES | CACTVS | 3.370 | CCOc1ccc(C=O)cc1c2cc3nc(N)nc(N)c3cc2C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)C=O |
SMILES | OpenEye OEToolkits | 1.7.2 | CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)C=O |