Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2N=C(c1cnc(cc1N2CCOCCC)c3ccc(OC)nc3)NCCOC(C)C |
InChI | InChI | 1.03 | InChI=1S/C23H31N5O4/c1-5-10-31-12-9-28-20-13-19(17-6-7-21(30-4)26-14-17)25-15-18(20)22(27-23(28)29)24-8-11-32-16(2)3/h6-7,13-16H,5,8-12H2,1-4H3,(H,24,27,29) |
InChIKey | InChI | 1.03 | WVANLBXFBJNOKP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCOCCN1C(=O)N=C(NCCOC(C)C)c2cnc(cc12)c3ccc(OC)nc3 |
SMILES | CACTVS | 3.370 | CCCOCCN1C(=O)N=C(NCCOC(C)C)c2cnc(cc12)c3ccc(OC)nc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCOCCN1c2cc(ncc2C(=NC1=O)NCCOC(C)C)c3ccc(nc3)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCOCCN1c2cc(ncc2C(=NC1=O)NCCOC(C)C)c3ccc(nc3)OC |