Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2cc1ccc(cc1n2)c4nc(c3nccn3c4)Nc6ccc(N5CCOCC5)cc6 |
InChI | InChI | 1.03 | InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27) |
InChIKey | InChI | 1.03 | XSMSNFMDVXXHGJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1CN(CCO1)c2ccc(Nc3nc(cn4ccnc34)c5ccc6cn[nH]c6c5)cc2 |
SMILES | CACTVS | 3.385 | C1CN(CCO1)c2ccc(Nc3nc(cn4ccnc34)c5ccc6cn[nH]c6c5)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1Nc2c3nccn3cc(n2)c4ccc5cn[nH]c5c4)N6CCOCC6 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1Nc2c3nccn3cc(n2)c4ccc5cn[nH]c5c4)N6CCOCC6 |