Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2nn(c1ccc(O)cc1)cc2c3nc4c(cc3)cc(OCCOC)cc4 |
InChI | InChI | 1.03 | InChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3 |
InChIKey | InChI | 1.03 | RDMXBXKUWXFIGH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCCOc1ccc2nc(ccc2c1)c3cn(nn3)c4ccc(O)cc4 |
SMILES | CACTVS | 3.385 | COCCOc1ccc2nc(ccc2c1)c3cn(nn3)c4ccc(O)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COCCOc1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O |
SMILES | OpenEye OEToolkits | 1.9.2 | COCCOc1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O |