Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1cc(cc(C)c1)Nc1cccc(n1)c1c(C)nnn1C1CCN(CC1)C(=N)N |
InChI | InChI | 1.03 | InChI=1S/C22H28N8/c1-14-11-15(2)13-17(12-14)25-20-6-4-5-19(26-20)21-16(3)27-28-30(21)18-7-9-29(10-8-18)22(23)24/h4-6,11-13,18H,7-10H2,1-3H3,(H3,23,24)(H,25,26) |
InChIKey | InChI | 1.03 | KEWZHLXKQSXXAR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)cc(Nc2cccc(n2)c3n(nnc3C)C4CCN(CC4)C(N)=N)c1 |
SMILES | CACTVS | 3.385 | Cc1cc(C)cc(Nc2cccc(n2)c3n(nnc3C)C4CCN(CC4)C(N)=N)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/N1CCC(CC1)n2c(c(nn2)C)c3cccc(n3)Nc4cc(cc(c4)C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)Nc2cccc(n2)c3c(nnn3C4CCN(CC4)C(=N)N)C)C |