Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCOC(c3cc2C(=O)c1cc(C(C)C)ccc1Oc2nc3N)=O |
InChI | InChI | 1.03 | InChI=1S/C18H18N2O4/c1-4-23-18(22)13-8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)20-16(13)19/h5-9H,4H2,1-3H3,(H2,19,20) |
InChIKey | InChI | 1.03 | PFDJAEKKGJFCNL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1cc2C(=O)c3cc(ccc3Oc2nc1N)C(C)C |
SMILES | CACTVS | 3.385 | CCOC(=O)c1cc2C(=O)c3cc(ccc3Oc2nc1N)C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)c1cc2c(nc1N)Oc3ccc(cc3C2=O)C(C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)c1cc2c(nc1N)Oc3ccc(cc3C2=O)C(C)C |