Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1N(c3cnc(nc3N(C1CC)C2CCCC2)n5ccnc5c4ccccc4)C |
InChI | InChI | 1.03 | InChI=1S/C23H26N6O/c1-3-18-22(30)27(2)19-15-25-23(26-21(19)29(18)17-11-7-8-12-17)28-14-13-24-20(28)16-9-5-4-6-10-16/h4-6,9-10,13-15,17-18H,3,7-8,11-12H2,1-2H3/t18-/m1/s1 |
InChIKey | InChI | 1.03 | JMDRAMDTWLAOHD-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC[C@H]1N(C2CCCC2)c3nc(ncc3N(C)C1=O)n4ccnc4c5ccccc5 |
SMILES | CACTVS | 3.370 | CC[CH]1N(C2CCCC2)c3nc(ncc3N(C)C1=O)n4ccnc4c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5ccccc5)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5ccccc5)C |