Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H22N6O3/c1-13-18-12-24-23(26-15-10-19(30-2)21(32-4)20(11-15)31-3)28-29(18)22(25-13)17-9-14-7-5-6-8-16(14)27-17/h5-12,27H,1-4H3,(H,26,28) |
InChIKey | InChI | 1.03 | LXDPQXXUVGVIND-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(Nc2ncc3n(n2)c(nc3C)c4[nH]c5ccccc5c4)cc(OC)c1OC |
SMILES | CACTVS | 3.385 | COc1cc(Nc2ncc3n(n2)c(nc3C)c4[nH]c5ccccc5c4)cc(OC)c1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2cnc(nn2c(n1)c3cc4ccccc4[nH]3)Nc5cc(c(c(c5)OC)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2cnc(nn2c(n1)c3cc4ccccc4[nH]3)Nc5cc(c(c(c5)OC)OC)OC |