Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c2c(nc1)n(nc2c4cc3cc(OCC)ccc3cc4)CC(C)C)N |
InChI | InChI | 1.03 | InChI=1S/C21H23N5O/c1-4-27-17-8-7-14-5-6-15(9-16(14)10-17)19-18-20(22)23-12-24-21(18)26(25-19)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H2,22,23,24) |
InChIKey | InChI | 1.03 | AEVLTZJWDLNUCI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc2ccc(cc2c1)c3nn(CC(C)C)c4ncnc(N)c34 |
SMILES | CACTVS | 3.385 | CCOc1ccc2ccc(cc2c1)c3nn(CC(C)C)c4ncnc(N)c34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC(C)C)N |
SMILES | OpenEye OEToolkits | 1.9.2 | CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC(C)C)N |