Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C5C(c2cc1cnc(nc1cc2)N)=C(C=CN5c3ccc4c(c3)NCC4(C)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC1=C(C(=O)N(C=C1)c2ccc3c(NCC3(C)C)c2)c4ccc5nc(N)ncc5c4 |
SMILES | CACTVS | 3.341 | CC1=C(C(=O)N(C=C1)c2ccc3c(NCC3(C)C)c2)c4ccc5nc(N)ncc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)N(C=C1)c2ccc3c(c2)NCC3(C)C)c4ccc5c(c4)cnc(n5)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)N(C=C1)c2ccc3c(c2)NCC3(C)C)c4ccc5c(c4)cnc(n5)N |
InChI | InChI | 1.03 | InChI=1S/C24H23N5O/c1-14-8-9-29(17-5-6-18-20(11-17)27-13-24(18,2)3)22(30)21(14)15-4-7-19-16(10-15)12-26-23(25)28-19/h4-12,27H,13H2,1-3H3,(H2,25,26,28) |
InChIKey | InChI | 1.03 | LHLGUOHREUTYTO-UHFFFAOYSA-N |