Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2N(c1ccnc(N)c1)CCN2CCC(CCOc3ccc(\C=N\OCC)cc3)C |
InChI | InChI | 1.03 | InChI=1S/C23H31N5O3/c1-3-31-26-17-19-4-6-21(7-5-19)30-15-10-18(2)9-12-27-13-14-28(23(27)29)20-8-11-25-22(24)16-20/h4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,24,25)/b26-17+/t18-/m0/s1 |
InChIKey | InChI | 1.03 | SRJKGDFZRYDLKM-WYZSWBMLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCO/N=C/c1ccc(OCC[C@@H](C)CCN2CCN(C2=O)c3ccnc(N)c3)cc1 |
SMILES | CACTVS | 3.385 | CCON=Cc1ccc(OCC[CH](C)CCN2CCN(C2=O)c3ccnc(N)c3)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccnc(c3)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CCON=Cc1ccc(cc1)OCCC(C)CCN2CCN(C2=O)c3ccnc(c3)N |