Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1(c4c(cc1C(=O)N(C2CC2)C3CC3)c6c(c(n4)Nc5cc(C)n(C)n5)ncn6C)CC |
InChI | InChI | 1.03 | InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27) |
InChIKey | InChI | 1.03 | JCINBYQJBYJGDM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCn1c(cc2c1nc(Nc3cc(C)n(C)n3)c4ncn(C)c24)C(=O)N(C5CC5)C6CC6 |
SMILES | CACTVS | 3.385 | CCn1c(cc2c1nc(Nc3cc(C)n(C)n3)c4ncn(C)c24)C(=O)N(C5CC5)C6CC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6 |
SMILES | OpenEye OEToolkits | 1.9.2 | CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6 |