Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1cc(c(c2c1nc(nc2N)N)C)/C=C\c3cc(OC)ccc3OC |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(OC)c(\C=C/c2cnc3nc(N)nc(N)c3c2C)c1 |
SMILES | CACTVS | 3.341 | COc1ccc(OC)c(C=Cc2cnc3nc(N)nc(N)c3c2C)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(cnc2c1c(nc(n2)N)N)\C=C/c3cc(ccc3OC)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(cnc2c1c(nc(n2)N)N)C=Cc3cc(ccc3OC)OC |
InChI | InChI | 1.03 | InChI=1S/C18H19N5O2/c1-10-12(9-21-17-15(10)16(19)22-18(20)23-17)5-4-11-8-13(24-2)6-7-14(11)25-3/h4-9H,1-3H3,(H4,19,20,21,22,23)/b5-4- |
InChIKey | InChI | 1.03 | WNDJHUNKXPAREB-PLNGDYQASA-N |