Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2C4=C(c1c(ncnc1N2c3cc(O)ccc3C)N)CCCC4 |
InChI | InChI | 1.03 | InChI=1S/C18H18N4O2/c1-10-6-7-11(23)8-14(10)22-17-15(16(19)20-9-21-17)12-4-2-3-5-13(12)18(22)24/h6-9,23H,2-5H2,1H3,(H2,19,20,21) |
InChIKey | InChI | 1.03 | ZQQZSFIPDUAFMC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(O)cc1N2C(=O)C3=C(CCCC3)c4c(N)ncnc24 |
SMILES | CACTVS | 3.370 | Cc1ccc(O)cc1N2C(=O)C3=C(CCCC3)c4c(N)ncnc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1N2c3c(c(ncn3)N)C4=C(C2=O)CCCC4)O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1N2c3c(c(ncn3)N)C4=C(C2=O)CCCC4)O |