Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c(N(CCO)CCO)nc1c(ncn1C(C)C)c2NCc3ccc(cc3)OC |
InChI | InChI | 1.03 | InChI=1S/C20H28N6O3/c1-14(2)26-13-22-17-18(21-12-15-4-6-16(29-3)7-5-15)23-20(24-19(17)26)25(8-10-27)9-11-28/h4-7,13-14,27-28H,8-12H2,1-3H3,(H,21,23,24) |
InChIKey | InChI | 1.03 | NQVIIUBWMBHLOZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)CCO)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)CCO)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)OC)N(CCO)CCO |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)OC)N(CCO)CCO |