Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1cc(cn1)c1nccc(Oc2ccc(nc2C)C2=CN=C(NC(C)C)N(C)C2=O)c1 |
InChI | InChI | 1.03 | InChI=1S/C23H25N7O2/c1-14(2)27-23-25-12-18(22(31)30(23)5)19-6-7-21(15(3)28-19)32-17-8-9-24-20(10-17)16-11-26-29(4)13-16/h6-14H,1-5H3,(H,25,27) |
InChIKey | InChI | 1.03 | TVGAHWWPABTBCX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC1=NC=C(C(=O)N1C)c2ccc(Oc3ccnc(c3)c4cnn(C)c4)c(C)n2 |
SMILES | CACTVS | 3.385 | CC(C)NC1=NC=C(C(=O)N1C)c2ccc(Oc3ccnc(c3)c4cnn(C)c4)c(C)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc(n1)C2=CN=C(N(C2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc(n1)C2=CN=C(N(C2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C |