Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c1c(cc(OC)c(OC)c1OC)c(nc2)NC(CC)CC |
InChI | InChI | 1.03 | InChI=1S/C16H23N3O3/c1-6-10(7-2)19-16-11-8-12(20-3)14(21-4)15(22-5)13(11)17-9-18-16/h8-10H,6-7H2,1-5H3,(H,17,18,19) |
InChIKey | InChI | 1.03 | TVJPHOZGPOLRKC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCC(CC)Nc1ncnc2c(OC)c(OC)c(OC)cc12 |
SMILES | CACTVS | 3.370 | CCC(CC)Nc1ncnc2c(OC)c(OC)c(OC)cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(CC)Nc1c2cc(c(c(c2ncn1)OC)OC)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC(CC)Nc1c2cc(c(c(c2ncn1)OC)OC)OC |