Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1cccc(c1)CNc5nc2c(ncnc2Nc4ccc(N3CCOCC3)cc4)cc5 |
InChI | InChI | 1.03 | InChI=1S/C23H23N7O/c1-2-17(14-24-9-1)15-25-21-8-7-20-22(29-21)23(27-16-26-20)28-18-3-5-19(6-4-18)30-10-12-31-13-11-30/h1-9,14,16H,10-13,15H2,(H,25,29)(H,26,27,28) |
InChIKey | InChI | 1.03 | DCLOYUQZPOKYDM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1CN(CCO1)c2ccc(Nc3ncnc4ccc(NCc5cccnc5)nc34)cc2 |
SMILES | CACTVS | 3.385 | C1CN(CCO1)c2ccc(Nc3ncnc4ccc(NCc5cccnc5)nc34)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)CNc2ccc3c(n2)c(ncn3)Nc4ccc(cc4)N5CCOCC5 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)CNc2ccc3c(n2)c(ncn3)Nc4ccc(cc4)N5CCOCC5 |