Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(n3nc(nc3c2c1cccc2)N)Cc4cc(OC)cc(OC)c4 |
InChI | InChI | 1.03 | InChI=1S/C18H17N5O2/c1-24-12-7-11(8-13(10-12)25-2)9-16-20-15-6-4-3-5-14(15)17-21-18(19)22-23(16)17/h3-8,10H,9H2,1-2H3,(H2,19,22) |
InChIKey | InChI | 1.03 | OOUWYRBLMZEUGI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(Cc2nc3ccccc3c4nc(N)nn24)cc(OC)c1 |
SMILES | CACTVS | 3.385 | COc1cc(Cc2nc3ccccc3c4nc(N)nn24)cc(OC)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc(cc(c1)OC)Cc2nc3ccccc3c4n2nc(n4)N |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(cc(c1)OC)Cc2nc3ccccc3c4n2nc(n4)N |