Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O4c2ccc(c1cncnc1)cc2C3(N=C(OC3)N)c5c4ccc(OCC(C)C)c5 |
InChI | InChI | 1.03 | InChI=1S/C23H22N4O3/c1-14(2)11-28-17-4-6-21-19(8-17)23(12-29-22(24)27-23)18-7-15(3-5-20(18)30-21)16-9-25-13-26-10-16/h3-10,13-14H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1 |
InChIKey | InChI | 1.03 | JWSHQJYDXNPIKG-QHCPKHFHSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)COc1ccc2Oc3ccc(cc3[C@@]4(COC(=N4)N)c2c1)c5cncnc5 |
SMILES | CACTVS | 3.370 | CC(C)COc1ccc2Oc3ccc(cc3[C]4(COC(=N4)N)c2c1)c5cncnc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)COc1ccc2c(c1)C3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5 |