Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c12ncnc(c1nc(n2C\C=C\C)Cc3cc(OC)c(OC)c(c3)OC)N |
InChI | InChI | 1.03 | InChI=1S/C19H23N5O3/c1-5-6-7-24-15(23-16-18(20)21-11-22-19(16)24)10-12-8-13(25-2)17(27-4)14(9-12)26-3/h5-6,8-9,11H,7,10H2,1-4H3,(H2,20,21,22)/b6-5+ |
InChIKey | InChI | 1.03 | ZAFMHPQRCYVTLV-AATRIKPKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(Cc2nc3c(N)ncnc3n2C/C=C/C)cc(OC)c1OC |
SMILES | CACTVS | 3.385 | COc1cc(Cc2nc3c(N)ncnc3n2CC=CC)cc(OC)c1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C/C=C/Cn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CC=CCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC |